4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one

C13H22N4O — CID 136755779

IUPAC4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H22N4O/c14-7-3-1-2-4-8-15-11-9-12(18)17-13(16-11)10-5-6-10/h9-10H,1-8,14H2,(H2,15,16,17,18)
InChIKeyBNDQRJPGKZQZIB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds8

About 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one

4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136755779) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136755779
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H22N4O/c14-7-3-1-2-4-8-15-11-9-12(18)17-13(16-11)10-5-6-10/h9-10H,1-8,14H2,(H2,15,16,17,18)
InChIKeyBNDQRJPGKZQZIB-UHFFFAOYSA-N
XLogP1.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
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

2-cyclopropyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819409
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
2-cyclopropyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973713
2-cyclopropyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975604
2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976578
2-cyclopropyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976589
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136989531
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
4-amino-2-[amino(cyclopropyl)methyl]-1H-pyrimidin-6-one
CID 136077492

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136755779) is 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one is NCCCCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is BNDQRJPGKZQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-7-3-1-2-4-8-15-11-9-12(18)17-13(16-11)10-5-6-10/h9-10H,1-8,14H2,(H2,15,16,17,18).
What are the key properties of 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136755779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).