5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C18H27N5OS — CID 99935192

IUPAC5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCC(C)c1nc(CN(C)Cc2cnc(NC[C@H]3CCCO3)nc2)cs1
InChIInChI=1S/C18H27N5OS/c1-13(2)17-22-15(12-25-17)11-23(3)10-14-7-19-18(20-8-14)21-9-16-5-4-6-24-16/h7-8,12-13,16H,4-6,9-11H2,1-3H3,(H,19,20,21)/t16-/m1/s1
InChIKeyFZPWQYUOIOSECA-MRXNPFEDSA-N
MW361.52 g/mol
LogP3.28
Rot. Bonds8

About 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99935192) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99935192
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCC(C)c1nc(CN(C)Cc2cnc(NC[C@H]3CCCO3)nc2)cs1
InChIInChI=1S/C18H27N5OS/c1-13(2)17-22-15(12-25-17)11-23(3)10-14-7-19-18(20-8-14)21-9-16-5-4-6-24-16/h7-8,12-13,16H,4-6,9-11H2,1-3H3,(H,19,20,21)/t16-/m1/s1
InChIKeyFZPWQYUOIOSECA-MRXNPFEDSA-N
XLogP3.28
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 84590359
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99928673
4-Methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 136551051
5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 164632578
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394659
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394660
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818292
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818293
N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131645560
9-(5-Methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450760
N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 155900748
2-Methyl-4-[2-(2-piperidin-4-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole
CID 68216935

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99935192) is 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CC(C)c1nc(CN(C)Cc2cnc(NC[C@H]3CCCO3)nc2)cs1.
What is the InChIKey of 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is FZPWQYUOIOSECA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-13(2)17-22-15(12-25-17)11-23(3)10-14-7-19-18(20-8-14)21-9-16-5-4-6-24-16/h7-8,12-13,16H,4-6,9-11H2,1-3H3,(H,19,20,21)/t16-/m1/s1.
What are the key properties of 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 361.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99935192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).