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

C10H17ClN4O — CID 136755778

IUPAC4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6,12H2,(H2,13,14,15,16)
InChIKeyRZHIYTULADKMMU-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.35
Rot. Bonds7

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

4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136755778) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
PubChem CID136755778
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6,12H2,(H2,13,14,15,16)
InChIKeyRZHIYTULADKMMU-UHFFFAOYSA-N
XLogP1.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.35
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
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
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-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
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)-1H-pyrimidin-6-one
CID 136755771
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one (CID 136755778) is 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one is NCCCCCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is RZHIYTULADKMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6,12H2,(H2,13,14,15,16).
What are the key properties of 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one?
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 244.73 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136755778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).