2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

C18H25N5OS — CID 126788028

IUPAC2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2csc(N3CCCC3)n2)c(C(C)C)n1
InChIInChI=1S/C18H25N5OS/c1-12(2)16-15(10-20-13(3)21-16)17(24)19-7-6-14-11-25-18(22-14)23-8-4-5-9-23/h10-12H,4-9H2,1-3H3,(H,19,24)
InChIKeyHAIYCGMHVVZRNM-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.94
Rot. Bonds6

About 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 126788028) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID126788028
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2csc(N3CCCC3)n2)c(C(C)C)n1
InChIInChI=1S/C18H25N5OS/c1-12(2)16-15(10-20-13(3)21-16)17(24)19-7-6-14-11-25-18(22-14)23-8-4-5-9-23/h10-12H,4-9H2,1-3H3,(H,19,24)
InChIKeyHAIYCGMHVVZRNM-UHFFFAOYSA-N
XLogP2.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 126788028) is 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCc2csc(N3CCCC3)n2)c(C(C)C)n1.
What is the InChIKey of 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is HAIYCGMHVVZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12(2)16-15(10-20-13(3)21-16)17(24)19-7-6-14-11-25-18(22-14)23-8-4-5-9-23/h10-12H,4-9H2,1-3H3,(H,19,24).
What are the key properties of 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).