N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide

C19H25N5O — CID 25182932

IUPACN-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1
InChIInChI=1S/C19H25N5O/c1-2-9-24(12-15-3-4-15)18-10-17(21-13-22-18)19(25)23-16-7-5-14(11-20)6-8-16/h5-8,10,13,15H,2-4,9,11-12,20H2,1H3,(H,23,25)
InChIKeyKSKFXMREXINLDH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.81
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide

N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide (PubChem CID 25182932) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide
PubChem CID25182932
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1
InChIInChI=1S/C19H25N5O/c1-2-9-24(12-15-3-4-15)18-10-17(21-13-22-18)19(25)23-16-7-5-14(11-20)6-8-16/h5-8,10,13,15H,2-4,9,11-12,20H2,1H3,(H,23,25)
InChIKeyKSKFXMREXINLDH-UHFFFAOYSA-N
XLogP2.81
TPSA84.14 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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
N-(6-(4-methylpiperidin-1-yl)pyrimidin-4-yl)benzamide
CID 65389180
6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182905
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
N-{5-[2-(Methylamino)pyrimidin-4-Yl]-2-Oxo-1,2-Dihydropyridin-3-Yl}-4-(Piperidin-1-Yl)benzamide
CID 52936531
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
CID 15052873
1-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylbenzyl)azetidine-3-carboxylic acid
CID 46881623
N-cyclopropyl-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563066
4-(4-(2-cyclopropyl-1-isopropyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 44563109
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182773

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide (CID 25182932) is N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide?
The InChIKey is KSKFXMREXINLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-9-24(12-15-3-4-15)18-10-17(21-13-22-18)19(25)23-16-7-5-14(11-20)6-8-16/h5-8,10,13,15H,2-4,9,11-12,20H2,1H3,(H,23,25).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).