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

C11H19BrN4O — CID 136817755

IUPAC4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H19BrN4O/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)
InChIKeyGIOGHINDPFBWOK-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.71
Rot. Bonds6

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

4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136817755) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136817755
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H19BrN4O/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)
InChIKeyGIOGHINDPFBWOK-UHFFFAOYSA-N
XLogP1.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 136957174
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817750
5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956563
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-bromo-4-(2-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 137267563
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136817755) is 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one is CCC(CC)C(N)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is GIOGHINDPFBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/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-bromo-1H-pyrimidin-6-one?
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 303.20 g/mol, XLogP of 1.71, 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-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136817755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).