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

C19H21N5OS — CID 70772435

IUPAC2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cnc(N)nc2-c2ccccc2)cs1
InChIInChI=1S/C19H21N5OS/c1-12(2)17-22-14(11-26-17)10-24(3)18(25)15-9-21-19(20)23-16(15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H2,20,21,23)
InChIKeyQJEFTQJRFRGXRP-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.58
Rot. Bonds5

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

2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 70772435) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID70772435
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cnc(N)nc2-c2ccccc2)cs1
InChIInChI=1S/C19H21N5OS/c1-12(2)17-22-14(11-26-17)10-24(3)18(25)15-9-21-19(20)23-16(15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H2,20,21,23)
InChIKeyQJEFTQJRFRGXRP-UHFFFAOYSA-N
XLogP3.58
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 70772435) is 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is CC(C)c1nc(CN(C)C(=O)c2cnc(N)nc2-c2ccccc2)cs1.
What is the InChIKey of 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is QJEFTQJRFRGXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12(2)17-22-14(11-26-17)10-24(3)18(25)15-9-21-19(20)23-16(15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H2,20,21,23).
What are the key properties of 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 70772435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).