6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione

C21H35N5O3 — CID 170195761

IUPAC6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2CN)c(N)n(CC2CCCCC2)c1=O
InChIInChI=1S/C21H35N5O3/c1-2-25-20(28)18(17(27)14-24-11-7-6-10-16(24)12-22)19(23)26(21(25)29)13-15-8-4-3-5-9-15/h15-16H,2-14,22-23H2,1H3
InChIKeyOYDPCIFNWVBCBZ-UHFFFAOYSA-N
MW405.54 g/mol
LogP1.19
Rot. Bonds7

About 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione

6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione (PubChem CID 170195761) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione
PubChem CID170195761
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2CN)c(N)n(CC2CCCCC2)c1=O
InChIInChI=1S/C21H35N5O3/c1-2-25-20(28)18(17(27)14-24-11-7-6-10-16(24)12-22)19(23)26(21(25)29)13-15-8-4-3-5-9-15/h15-16H,2-14,22-23H2,1H3
InChIKeyOYDPCIFNWVBCBZ-UHFFFAOYSA-N
XLogP1.19
TPSA116.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2105210
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
6-amino-5-[2-[(2R)-2-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167799
6-amino-5-[2-[2-[amino(hydroxy)methyl]piperidin-1-yl]acetyl]-1,3-bis[(4-methylphenyl)methyl]pyrimidine-2,4-dione
CID 170196961
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 112796880
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-cyclooctylazanium
CID 9265608
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione (CID 170195761) is 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCCC2CN)c(N)n(CC2CCCCC2)c1=O.
What is the InChIKey of 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione?
The InChIKey is OYDPCIFNWVBCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-2-25-20(28)18(17(27)14-24-11-7-6-10-16(24)12-22)19(23)26(21(25)29)13-15-8-4-3-5-9-15/h15-16H,2-14,22-23H2,1H3.
What are the key properties of 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione?
6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione has a molecular weight of 405.54 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 170195761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).