N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C12H20N6O2 — CID 136978015

IUPACN-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N6O2/c13-3-4-15-11(19)8-2-1-5-18(6-8)10-9(14)12(20)17-7-16-10/h7-8H,1-6,13-14H2,(H,15,19)(H,16,17,20)
InChIKeyDUAZDVFCYHIMAM-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.36
Rot. Bonds4

About N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136978015) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136978015
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N6O2/c13-3-4-15-11(19)8-2-1-5-18(6-8)10-9(14)12(20)17-7-16-10/h7-8H,1-6,13-14H2,(H,15,19)(H,16,17,20)
InChIKeyDUAZDVFCYHIMAM-UHFFFAOYSA-N
XLogP-1.36
TPSA130.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687972
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687975
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792778
5-amino-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805337
5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805355
5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805365
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957389
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957390
5-amino-4-[3-(1-aminoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958187
5-amino-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958194

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136978015) is N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is DUAZDVFCYHIMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c13-3-4-15-11(19)8-2-1-5-18(6-8)10-9(14)12(20)17-7-16-10/h7-8H,1-6,13-14H2,(H,15,19)(H,16,17,20).
What are the key properties of N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136978015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).