4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

C17H24N6O — CID 95121436

IUPAC4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCC(C)[C@@H](Nc1cc(N2CCOCC2)nc(N)n1)c1ccccn1
InChIInChI=1S/C17H24N6O/c1-12(2)16(13-5-3-4-6-19-13)20-14-11-15(22-17(18)21-14)23-7-9-24-10-8-23/h3-6,11-12,16H,7-10H2,1-2H3,(H3,18,20,21,22)/t16-/m1/s1
InChIKeyBBHXFXBNDKXVLO-MRXNPFEDSA-N
MW328.42 g/mol
LogP2.10
Rot. Bonds5

About 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 95121436) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID95121436
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCC(C)[C@@H](Nc1cc(N2CCOCC2)nc(N)n1)c1ccccn1
InChIInChI=1S/C17H24N6O/c1-12(2)16(13-5-3-4-6-19-13)20-14-11-15(22-17(18)21-14)23-7-9-24-10-8-23/h3-6,11-12,16H,7-10H2,1-2H3,(H3,18,20,21,22)/t16-/m1/s1
InChIKeyBBHXFXBNDKXVLO-MRXNPFEDSA-N
XLogP2.10
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

Buparlisib
CID 16654980
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
VPS34 inhibitor 1
CID 67983918
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
5-Methoxy-N-(1-methylethyl)-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470715
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
4-(4-(4-Fluorophenyl)-1-(3-morpholinopropyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 9800117
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 95121436) is 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is CC(C)[C@@H](Nc1cc(N2CCOCC2)nc(N)n1)c1ccccn1.
What is the InChIKey of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is BBHXFXBNDKXVLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)16(13-5-3-4-6-19-13)20-14-11-15(22-17(18)21-14)23-7-9-24-10-8-23/h3-6,11-12,16H,7-10H2,1-2H3,(H3,18,20,21,22)/t16-/m1/s1.
What are the key properties of 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 95121436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).