N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C16H22N4OS — CID 125024721

IUPACN,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2Cc2ccc(C)s2)n1
InChIInChI=1S/C16H22N4OS/c1-11-8-15(17-3)19-16(18-11)14-10-21-7-6-20(14)9-13-5-4-12(2)22-13/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,18,19)/t14-/m0/s1
InChIKeyZHNDZIUDMLHOGM-AWEZNQCLSA-N
MW318.45 g/mol
LogP2.77
Rot. Bonds4

About N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 125024721) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID125024721
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2Cc2ccc(C)s2)n1
InChIInChI=1S/C16H22N4OS/c1-11-8-15(17-3)19-16(18-11)14-10-21-7-6-20(14)9-13-5-4-12(2)22-13/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,18,19)/t14-/m0/s1
InChIKeyZHNDZIUDMLHOGM-AWEZNQCLSA-N
XLogP2.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124980115
N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 125024623
2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol
CID 124962756
N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 124962533
N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113781
N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 125025039
N,6-dimethyl-2-[(3R)-4-(1-methylpiperidin-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 124941290
N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
CID 110113783
3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 110113786
[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125023396
[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124967847
N,N,6-trimethyl-2-[(3R)-4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124995845

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 125024721) is N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc([C@@H]2COCCN2Cc2ccc(C)s2)n1.
What is the InChIKey of N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is ZHNDZIUDMLHOGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-8-15(17-3)19-16(18-11)14-10-21-7-6-20(14)9-13-5-4-12(2)22-13/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 318.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125024721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).