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

C22H29N5O — CID 25182902

IUPACN-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
SMILESNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28)
InChIKeyFQOURJZKLBJPLD-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.74
Rot. Bonds7

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

N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide (PubChem CID 25182902) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
PubChem CID25182902
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
SMILESNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28)
InChIKeyFQOURJZKLBJPLD-UHFFFAOYSA-N
XLogP3.74
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide (CID 25182902) is N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide is NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is FQOURJZKLBJPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.74, 7 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-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).