2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

C15H19N7OS — CID 10020446

IUPAC2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(NCCN2CCOCC2)cc(Nc2ncc(C#N)s2)n1
InChIInChI=1S/C15H19N7OS/c1-11-19-13(17-2-3-22-4-6-23-7-5-22)8-14(20-11)21-15-18-10-12(9-16)24-15/h8,10H,2-7H2,1H3,(H2,17,18,19,20,21)
InChIKeyWNVVVMNKLMNWAH-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.60
Rot. Bonds6

About 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 10020446) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID10020446
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(NCCN2CCOCC2)cc(Nc2ncc(C#N)s2)n1
InChIInChI=1S/C15H19N7OS/c1-11-19-13(17-2-3-22-4-6-23-7-5-22)8-14(20-11)21-15-18-10-12(9-16)24-15/h8,10H,2-7H2,1H3,(H2,17,18,19,20,21)
InChIKeyWNVVVMNKLMNWAH-UHFFFAOYSA-N
XLogP1.60
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (CID 10020446) is 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is Cc1nc(NCCN2CCOCC2)cc(Nc2ncc(C#N)s2)n1.
What is the InChIKey of 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is WNVVVMNKLMNWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-11-19-13(17-2-3-22-4-6-23-7-5-22)8-14(20-11)21-15-18-10-12(9-16)24-15/h8,10H,2-7H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 345.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 10020446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).