5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C20H33N5O — CID 70764075

IUPAC5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESc1nc(NCC2CCCO2)ncc1CN1CCCN(C2CCCC2)CC1
InChIInChI=1S/C20H33N5O/c1-2-6-18(5-1)25-9-4-8-24(10-11-25)16-17-13-21-20(22-14-17)23-15-19-7-3-12-26-19/h13-14,18-19H,1-12,15-16H2,(H,21,22,23)
InChIKeyTUNPWROVTYXFGR-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.52
Rot. Bonds6

About 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 70764075) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID70764075
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESc1nc(NCC2CCCO2)ncc1CN1CCCN(C2CCCC2)CC1
InChIInChI=1S/C20H33N5O/c1-2-6-18(5-1)25-9-4-8-24(10-11-25)16-17-13-21-20(22-14-17)23-15-19-7-3-12-26-19/h13-14,18-19H,1-12,15-16H2,(H,21,22,23)
InChIKeyTUNPWROVTYXFGR-UHFFFAOYSA-N
XLogP2.52
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine 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

(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 95598765
5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99940329
5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99949653
N-(pyrimidin-5-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]azepan-4-amine
CID 120445082
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 128973985
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 129342755
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129342756
(4S)-N-(pyrimidin-5-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]azepan-4-amine
CID 129466191
(4R)-N-(pyrimidin-5-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]azepan-4-amine
CID 129466192
2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 50957676
N~4~,N~4~,5-trimethyl-N~2~-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 50967982
4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine
CID 50969661

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 70764075) is 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is c1nc(NCC2CCCO2)ncc1CN1CCCN(C2CCCC2)CC1.
What is the InChIKey of 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is TUNPWROVTYXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-6-18(5-1)25-9-4-8-24(10-11-25)16-17-13-21-20(22-14-17)23-15-19-7-3-12-26-19/h13-14,18-19H,1-12,15-16H2,(H,21,22,23).
What are the key properties of 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 359.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 70764075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).