2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide

C16H17N5O2 — CID 109295859

IUPAC2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C16H17N5O2/c1-10(22)18-11-2-6-13(7-3-11)20-16-17-9-8-14(21-16)15(23)19-12-4-5-12/h2-3,6-9,12H,4-5H2,1H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyBMUSWPYBJIDKQB-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide (PubChem CID 109295859) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
PubChem CID109295859
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C16H17N5O2/c1-10(22)18-11-2-6-13(7-3-11)20-16-17-9-8-14(21-16)15(23)19-12-4-5-12/h2-3,6-9,12H,4-5H2,1H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyBMUSWPYBJIDKQB-UHFFFAOYSA-N
XLogP2.07
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
N-cyclopentyl-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109298177
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298869
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301975
5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271696
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide (CID 109295859) is 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)NC3CC3)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
The InChIKey is BMUSWPYBJIDKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(22)18-11-2-6-13(7-3-11)20-16-17-9-8-14(21-16)15(23)19-12-4-5-12/h2-3,6-9,12H,4-5H2,1H3,(H,18,22)(H,19,23)(H,17,20,21).
What are the key properties of 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).