4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one

C10H18N4O2 — CID 137008774

IUPAC4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(N)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H18N4O2/c1-3-7(11)4-5-12-9-8(16-2)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyJDSPKODQHIDRLE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds6

About 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one

4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137008774) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID137008774
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(N)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H18N4O2/c1-3-7(11)4-5-12-9-8(16-2)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyJDSPKODQHIDRLE-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
5-methoxy-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975974
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136976704

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one (CID 137008774) is 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one is CCC(N)CCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JDSPKODQHIDRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-7(11)4-5-12-9-8(16-2)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137008774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).