4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one

C9H15ClN4O — CID 136689845

IUPAC4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15)
InChIKeyICHJPLHOCFNOMX-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.96
Rot. Bonds6

About 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one

4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136689845) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
PubChem CID136689845
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15)
InChIKeyICHJPLHOCFNOMX-UHFFFAOYSA-N
XLogP0.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976590
5-chloro-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976594
5-chloro-4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137273178
5-chloro-2,4-bis(ethylamino)-1H-pyrimidin-6-one
CID 136186056
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
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-(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-aminopentylamino)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one (CID 136689845) is 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one is NCCCCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is ICHJPLHOCFNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 230.70 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136689845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).