6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine

C26H39N5O2 — CID 154176356

IUPAC6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
SMILESCOC[C@@H](C)NC1CCC(c2ccc(NC[C@H]3CCCOC3)nc2-c2ccnc(N)c2)CC1
InChIInChI=1S/C26H39N5O2/c1-18(16-32-2)30-22-7-5-20(6-8-22)23-9-10-25(29-15-19-4-3-13-33-17-19)31-26(23)21-11-12-28-24(27)14-21/h9-12,14,18-20,22,30H,3-8,13,15-17H2,1-2H3,(H2,27,28)(H,29,31)/t18-,19-,20?,22?/m1/s1
InChIKeyPEVBJVCKPZUEQB-NDUMYTTKSA-N
MW453.63 g/mol
LogP4.22
Rot. Bonds9

About 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine

6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine (PubChem CID 154176356) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
PubChem CID154176356
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC Name6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
SMILESCOC[C@@H](C)NC1CCC(c2ccc(NC[C@H]3CCCOC3)nc2-c2ccnc(N)c2)CC1
InChIInChI=1S/C26H39N5O2/c1-18(16-32-2)30-22-7-5-20(6-8-22)23-9-10-25(29-15-19-4-3-13-33-17-19)31-26(23)21-11-12-28-24(27)14-21/h9-12,14,18-20,22,30H,3-8,13,15-17H2,1-2H3,(H2,27,28)(H,29,31)/t18-,19-,20?,22?/m1/s1
InChIKeyPEVBJVCKPZUEQB-NDUMYTTKSA-N
XLogP4.22
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[5-chloro-4-[3-chloro-6-[[(3S)-oxan-3-yl]methylamino]-2-pyridinyl]-2-pyridinyl]-4-N-[(2R)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 50907858
6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 141285797
4-N-(1-methoxypropan-2-yl)-1-N-[6-[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 123477132
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 62824708
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
6-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]methyl]-4-pyridinyl]-N-[(2,2-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 58127214
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043538
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
1-N-[5-chloro-4-[6-(cyclopropylmethylamino)pyridazin-4-yl]pyrimidin-2-yl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
CID 123635117
1-N-[4-[6-(cyclopropylmethylamino)pyridazin-4-yl]-5-fluoropyrimidin-2-yl]-4-N-(1-methoxypropan-2-yl)cyclohexane-1,4-diamine
CID 123900934
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 45231546

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine (CID 154176356) is 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine is COC[C@@H](C)NC1CCC(c2ccc(NC[C@H]3CCCOC3)nc2-c2ccnc(N)c2)CC1.
What is the InChIKey of 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
The InChIKey is PEVBJVCKPZUEQB-NDUMYTTKSA-N. The full InChI is InChI=1S/C26H39N5O2/c1-18(16-32-2)30-22-7-5-20(6-8-22)23-9-10-25(29-15-19-4-3-13-33-17-19)31-26(23)21-11-12-28-24(27)14-21/h9-12,14,18-20,22,30H,3-8,13,15-17H2,1-2H3,(H2,27,28)(H,29,31)/t18-,19-,20?,22?/m1/s1.
What are the key properties of 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine?
6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine has a molecular weight of 453.63 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 154176356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).