N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C19H25N5O — CID 153321076

IUPACN-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C19H25N5O/c1-20-17-12-16(18(25)21-13-15-8-9-15)22-19(23-17)24(2)11-10-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyYTSROKCLCFGECD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.34
Rot. Bonds8

About N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 153321076) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID153321076
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C19H25N5O/c1-20-17-12-16(18(25)21-13-15-8-9-15)22-19(23-17)24(2)11-10-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyYTSROKCLCFGECD-UHFFFAOYSA-N
XLogP2.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 153321076) is N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CNc1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is YTSROKCLCFGECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-20-17-12-16(18(25)21-13-15-8-9-15)22-19(23-17)24(2)11-10-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(methylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 153321076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).