5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

C14H25N5O — CID 136958250

IUPAC5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCCNC(C)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C14H25N5O/c1-3-7-16-10(2)11-6-4-5-8-19(11)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8,15H2,1-2H3,(H,17,18,20)
InChIKeyQSUYHMKRFOAJEG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.10
Rot. Bonds5

About 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958250) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958250
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCCNC(C)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C14H25N5O/c1-3-7-16-10(2)11-6-4-5-8-19(11)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8,15H2,1-2H3,(H,17,18,20)
InChIKeyQSUYHMKRFOAJEG-UHFFFAOYSA-N
XLogP1.10
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
(6R,7S)-2-amino-6,7-diethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 141827576
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
CID 162725265
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 162725266

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958250) is 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CCCNC(C)C1CCCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QSUYHMKRFOAJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-7-16-10(2)11-6-4-5-8-19(11)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8,15H2,1-2H3,(H,17,18,20).
What are the key properties of 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 279.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).