2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide

C18H23N5O2 — CID 109263460

IUPAC2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)NCCC(C)C)cn2)c1
InChIInChI=1S/C18H23N5O2/c1-12(2)7-8-19-17(25)14-10-20-18(21-11-14)23-16-6-4-5-15(9-16)22-13(3)24/h4-6,9-12H,7-8H2,1-3H3,(H,19,25)(H,22,24)(H,20,21,23)
InChIKeySKCIBMBCHOWNHA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.95
Rot. Bonds7

About 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide

2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide (PubChem CID 109263460) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
PubChem CID109263460
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)NCCC(C)C)cn2)c1
InChIInChI=1S/C18H23N5O2/c1-12(2)7-8-19-17(25)14-10-20-18(21-11-14)23-16-6-4-5-15(9-16)22-13(3)24/h4-6,9-12H,7-8H2,1-3H3,(H,19,25)(H,22,24)(H,20,21,23)
InChIKeySKCIBMBCHOWNHA-UHFFFAOYSA-N
XLogP2.95
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
N-[3-[[2-(3-methylbutylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112900295
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262959

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide (CID 109263460) is 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide is CC(=O)Nc1cccc(Nc2ncc(C(=O)NCCC(C)C)cn2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The InChIKey is SKCIBMBCHOWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)7-8-19-17(25)14-10-20-18(21-11-14)23-16-6-4-5-15(9-16)22-13(3)24/h4-6,9-12H,7-8H2,1-3H3,(H,19,25)(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).