4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide

C16H21N5OS — CID 164640070

IUPAC4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide
SMILESCC[C@](C)(NC(=O)c1cnc(C2CC2)nc1N)c1nc(C)cs1
InChIInChI=1S/C16H21N5OS/c1-4-16(3,15-19-9(2)8-23-15)21-14(22)11-7-18-13(10-5-6-10)20-12(11)17/h7-8,10H,4-6H2,1-3H3,(H,21,22)(H2,17,18,20)/t16-/m0/s1
InChIKeyQDZDXQSGTDTNPZ-INIZCTEOSA-N
MW331.45 g/mol
LogP2.76
Rot. Bonds5

About 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide

4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide (PubChem CID 164640070) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide
PubChem CID164640070
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide
SMILESCC[C@](C)(NC(=O)c1cnc(C2CC2)nc1N)c1nc(C)cs1
InChIInChI=1S/C16H21N5OS/c1-4-16(3,15-19-9(2)8-23-15)21-14(22)11-7-18-13(10-5-6-10)20-12(11)17/h7-8,10H,4-6H2,1-3H3,(H,21,22)(H2,17,18,20)/t16-/m0/s1
InChIKeyQDZDXQSGTDTNPZ-INIZCTEOSA-N
XLogP2.76
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide (CID 164640070) is 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide is CC[C@](C)(NC(=O)c1cnc(C2CC2)nc1N)c1nc(C)cs1.
What is the InChIKey of 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is QDZDXQSGTDTNPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-4-16(3,15-19-9(2)8-23-15)21-14(22)11-7-18-13(10-5-6-10)20-12(11)17/h7-8,10H,4-6H2,1-3H3,(H,21,22)(H2,17,18,20)/t16-/m0/s1.
What are the key properties of 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide?
4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopropyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164640070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).