2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide

C19H31N5O2 — CID 71237764

IUPAC2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2ncc(C(N)=O)c(NC3(CC)CCC3)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-19(10-5-11-19)24-17-15(16(20)25)12-21-18(23-17)22-13-6-8-14(9-7-13)26-4-2/h12-14H,3-11H2,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyNNKCVOZOXHSRSE-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.08
Rot. Bonds8

About 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide

2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237764) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
PubChem CID71237764
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2ncc(C(N)=O)c(NC3(CC)CCC3)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-19(10-5-11-19)24-17-15(16(20)25)12-21-18(23-17)22-13-6-8-14(9-7-13)26-4-2/h12-14H,3-11H2,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyNNKCVOZOXHSRSE-UHFFFAOYSA-N
XLogP3.08
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide (CID 71237764) is 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide is CCOC1CCC(Nc2ncc(C(N)=O)c(NC3(CC)CCC3)n2)CC1.
What is the InChIKey of 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide?
The InChIKey is NNKCVOZOXHSRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-19(10-5-11-19)24-17-15(16(20)25)12-21-18(23-17)22-13-6-8-14(9-7-13)26-4-2/h12-14H,3-11H2,1-2H3,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide?
2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).