4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one

C10H17ClN4O — CID 136829851

IUPAC4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCN(CCCCCN)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-15(6-4-2-3-5-12)9-8(11)10(16)14-7-13-9/h7H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyCPRNUWQHOPOXSK-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.99
Rot. Bonds6

About 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one

4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136829851) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136829851
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCN(CCCCCN)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-15(6-4-2-3-5-12)9-8(11)10(16)14-7-13-9/h7H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyCPRNUWQHOPOXSK-UHFFFAOYSA-N
XLogP0.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 142964904
5-chloro-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976594
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701813
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736690
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778

Frequently Asked Questions

What is the IUPAC name of 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 136829851) is 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one is CN(CCCCCN)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is CPRNUWQHOPOXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-15(6-4-2-3-5-12)9-8(11)10(16)14-7-13-9/h7H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 244.73 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136829851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).