2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide

C25H41N5O2 — CID 91957707

IUPAC2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2(CN3CCCC3)CCOCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C25H41N5O2/c1-20(2)21-17-22(28-24(27-21)30-13-5-3-4-6-14-30)23(31)26-18-25(9-15-32-16-10-25)19-29-11-7-8-12-29/h17,20H,3-16,18-19H2,1-2H3,(H,26,31)
InChIKeyOLUKFIXXCISHNQ-UHFFFAOYSA-N
MW443.64 g/mol
LogP3.60
Rot. Bonds7

About 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide

2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 91957707) has the molecular formula C25H41N5O2 and a molecular weight of 443.64 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
PubChem CID91957707
Molecular FormulaC25H41N5O2
Molecular Weight443.64 g/mol
Exact Mass443.33
IUPAC Name2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2(CN3CCCC3)CCOCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C25H41N5O2/c1-20(2)21-17-22(28-24(27-21)30-13-5-3-4-6-14-30)23(31)26-18-25(9-15-32-16-10-25)19-29-11-7-8-12-29/h17,20H,3-16,18-19H2,1-2H3,(H,26,31)
InChIKeyOLUKFIXXCISHNQ-UHFFFAOYSA-N
XLogP3.60
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91958049
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945584
N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 91948480
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945576
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide (CID 91957707) is 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCC2(CN3CCCC3)CCOCC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is OLUKFIXXCISHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O2/c1-20(2)21-17-22(28-24(27-21)30-13-5-3-4-6-14-30)23(31)26-18-25(9-15-32-16-10-25)19-29-11-7-8-12-29/h17,20H,3-16,18-19H2,1-2H3,(H,26,31).
What are the key properties of 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide?
2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 443.64 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91957707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).