2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C18H26N4O2S — CID 126448409

IUPAC2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc([C@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1
InChIInChI=1S/C18H26N4O2S/c1-12(2)18-19-14(11-25-18)8-22(3)17-7-15(13-5-6-24-9-13)20-16(21-17)10-23-4/h7,11-13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyZAZUKGWQKXPTPS-ZDUSSCGKSA-N
MW362.50 g/mol
LogP3.34
Rot. Bonds7

About 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 126448409) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID126448409
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc([C@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1
InChIInChI=1S/C18H26N4O2S/c1-12(2)18-19-14(11-25-18)8-22(3)17-7-15(13-5-6-24-9-13)20-16(21-17)10-23-4/h7,11-13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyZAZUKGWQKXPTPS-ZDUSSCGKSA-N
XLogP3.34
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 126448409) is 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is COCc1nc([C@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1.
What is the InChIKey of 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZAZUKGWQKXPTPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(2)18-19-14(11-25-18)8-22(3)17-7-15(13-5-6-24-9-13)20-16(21-17)10-23-4/h7,11-13H,5-6,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 362.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 126448409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).