N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

C14H19N5OS — CID 124980115

IUPACN,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@H]2COCCN2Cc2nccs2)n1
InChIInChI=1S/C14H19N5OS/c1-10-7-12(15-2)18-14(17-10)11-9-20-5-4-19(11)8-13-16-3-6-21-13/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,15,17,18)/t11-/m1/s1
InChIKeyMGLRWMJGDBSKHM-LLVKDONJSA-N
MW305.41 g/mol
LogP1.86
Rot. Bonds4

About N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 124980115) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID124980115
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@H]2COCCN2Cc2nccs2)n1
InChIInChI=1S/C14H19N5OS/c1-10-7-12(15-2)18-14(17-10)11-9-20-5-4-19(11)8-13-16-3-6-21-13/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,15,17,18)/t11-/m1/s1
InChIKeyMGLRWMJGDBSKHM-LLVKDONJSA-N
XLogP1.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (CID 124980115) is N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc([C@H]2COCCN2Cc2nccs2)n1.
What is the InChIKey of N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is MGLRWMJGDBSKHM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-7-12(15-2)18-14(17-10)11-9-20-5-4-19(11)8-13-16-3-6-21-13/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,15,17,18)/t11-/m1/s1.
What are the key properties of N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 305.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(3S)-4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 124980115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).