5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

C13H21N5O — CID 136978043

IUPAC5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(C3CCCN3)CC2)nc[nH]c1=O
InChIInChI=1S/C13H21N5O/c14-11-12(16-8-17-13(11)19)18-6-3-9(4-7-18)10-2-1-5-15-10/h8-10,15H,1-7,14H2,(H,16,17,19)
InChIKeyIVVAOHDKSFTCBU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.32
Rot. Bonds2

About 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136978043) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136978043
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(C3CCCN3)CC2)nc[nH]c1=O
InChIInChI=1S/C13H21N5O/c14-11-12(16-8-17-13(11)19)18-6-3-9(4-7-18)10-2-1-5-15-10/h8-10,15H,1-7,14H2,(H,16,17,19)
InChIKeyIVVAOHDKSFTCBU-UHFFFAOYSA-N
XLogP0.32
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
CID 136989768
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)azepane-2-carboxylic acid
CID 137015830
5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136978043) is 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CCC(C3CCCN3)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is IVVAOHDKSFTCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-11-12(16-8-17-13(11)19)18-6-3-9(4-7-18)10-2-1-5-15-10/h8-10,15H,1-7,14H2,(H,16,17,19).
What are the key properties of 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).