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

C18H24N4O — CID 109259527

IUPACN-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-14(2)8-10-19-17(23)16-12-21-18(22-13-16)20-11-9-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyLKOFHJVVNCPDAO-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.91
Rot. Bonds8

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

N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259527) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259527
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-14(2)8-10-19-17(23)16-12-21-18(22-13-16)20-11-9-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyLKOFHJVVNCPDAO-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262959
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259527) is N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CC(C)CCNC(=O)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is LKOFHJVVNCPDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)8-10-19-17(23)16-12-21-18(22-13-16)20-11-9-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).