5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one

C9H14ClN3O2 — CID 136977293

IUPAC5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CCO)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-2-6(3-4-14)13-8-7(10)9(15)12-5-11-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyPBUHVYZBDUEWQQ-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.00
Rot. Bonds5

About 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one

5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136977293) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136977293
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CCO)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-2-6(3-4-14)13-8-7(10)9(15)12-5-11-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyPBUHVYZBDUEWQQ-UHFFFAOYSA-N
XLogP1.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847969
5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one
CID 137263738
5-bromo-4-(1-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 136972120
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136870582
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
5-chloro-4-(1-methylsulfanylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136977064
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136974772
4-(1-chlorobutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136971853
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
CID 107058460
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one (CID 136977293) is 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one is CCC(CCO)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is PBUHVYZBDUEWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-2-6(3-4-14)13-8-7(10)9(15)12-5-11-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 231.68 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).