4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine

C17H28N4O2 — CID 167931813

IUPAC4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-16(22-2)20-17(19-13)18-12-14-5-3-4-6-15(14)21-7-9-23-10-8-21/h11,14-15H,3-10,12H2,1-2H3,(H,18,19,20)/t14-,15-/m0/s1
InChIKeyUWNRLQURARAGIW-GJZGRUSLSA-N
MW320.44 g/mol
LogP2.10
Rot. Bonds5

About 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine (PubChem CID 167931813) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine
PubChem CID167931813
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-16(22-2)20-17(19-13)18-12-14-5-3-4-6-15(14)21-7-9-23-10-8-21/h11,14-15H,3-10,12H2,1-2H3,(H,18,19,20)/t14-,15-/m0/s1
InChIKeyUWNRLQURARAGIW-GJZGRUSLSA-N
XLogP2.10
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113293077
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691744
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 167858225
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133
2-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115354770
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine (CID 167931813) is 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine is COc1cc(C)nc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine?
The InChIKey is UWNRLQURARAGIW-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-11-16(22-2)20-17(19-13)18-12-14-5-3-4-6-15(14)21-7-9-23-10-8-21/h11,14-15H,3-10,12H2,1-2H3,(H,18,19,20)/t14-,15-/m0/s1.
What are the key properties of 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine has a molecular weight of 320.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 167931813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).