4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one

C11H19IN4O — CID 137003223

IUPAC4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H19IN4O/c1-3-7(4-2)8(13)5-14-10-9(12)11(17)16-6-15-10/h6-8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySRAZNXPAJBYMEE-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.55
Rot. Bonds6

About 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 137003223) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID137003223
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H19IN4O/c1-3-7(4-2)8(13)5-14-10-9(12)11(17)16-6-15-10/h6-8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySRAZNXPAJBYMEE-UHFFFAOYSA-N
XLogP1.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
4-(3-chloropentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136972130
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817750
4-[(2-chloro-2-cyclopropylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971924
4-(1-chlorobutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136971853
4-[(2-hydroxy-2-phenylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956079
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 137003223) is 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one is CCC(CC)C(N)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SRAZNXPAJBYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN4O/c1-3-7(4-2)8(13)5-14-10-9(12)11(17)16-6-15-10/h6-8H,3-5,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 350.20 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137003223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).