1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine

C18H30N4O — CID 97004691

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
SMILESCc1cc(N2CCC(N(C)C[C@H]3CCCCO3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-14-12-18(20-15(2)19-14)22-9-7-16(8-10-22)21(3)13-17-6-4-5-11-23-17/h12,16-17H,4-11,13H2,1-3H3/t17-/m1/s1
InChIKeyLBNACZNSTJWFLS-QGZVFWFLSA-N
MW318.47 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine (PubChem CID 97004691) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
PubChem CID97004691
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
SMILESCc1cc(N2CCC(N(C)C[C@H]3CCCCO3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-14-12-18(20-15(2)19-14)22-9-7-16(8-10-22)21(3)13-17-6-4-5-11-23-17/h12,16-17H,4-11,13H2,1-3H3/t17-/m1/s1
InChIKeyLBNACZNSTJWFLS-QGZVFWFLSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 71863166
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
CID 111543569
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965265
N-methyl-N-(oxan-2-ylmethyl)oxetan-3-amine
CID 130605523
N,2,3,5-tetramethyl-N-[[(2S)-oxan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95869657
(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 96569478
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 146074450

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine (CID 97004691) is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine is Cc1cc(N2CCC(N(C)C[C@H]3CCCCO3)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine?
The InChIKey is LBNACZNSTJWFLS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-12-18(20-15(2)19-14)22-9-7-16(8-10-22)21(3)13-17-6-4-5-11-23-17/h12,16-17H,4-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine has a molecular weight of 318.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 97004691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).