5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C11H19N5O — CID 136989336

IUPAC5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN(c1nc[nH]c(=O)c1N)C1CCNC1
InChIInChI=1S/C11H19N5O/c1-2-5-16(8-3-4-13-6-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6,12H2,1H3,(H,14,15,17)
InChIKeyNOPLRHYVMFYMOY-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.07
Rot. Bonds4

About 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136989336) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136989336
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN(c1nc[nH]c(=O)c1N)C1CCNC1
InChIInChI=1S/C11H19N5O/c1-2-5-16(8-3-4-13-6-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6,12H2,1H3,(H,14,15,17)
InChIKeyNOPLRHYVMFYMOY-UHFFFAOYSA-N
XLogP-0.07
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148
5-amino-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827311
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750
5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136979613
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
CID 63304442
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
4-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136977712
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136989336) is 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CCCN(c1nc[nH]c(=O)c1N)C1CCNC1.
What is the InChIKey of 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is NOPLRHYVMFYMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-5-16(8-3-4-13-6-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6,12H2,1H3,(H,14,15,17).
What are the key properties of 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).