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

C7H10ClN3O2 — CID 136973824

IUPAC5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCO)c1Cl
InChIInChI=1S/C7H10ClN3O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3H2,(H2,9,10,11,13)
InChIKeyIAXGXTRMTOZDFK-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.22
Rot. Bonds4

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

5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136973824) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136973824
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCO)c1Cl
InChIInChI=1S/C7H10ClN3O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3H2,(H2,9,10,11,13)
InChIKeyIAXGXTRMTOZDFK-UHFFFAOYSA-N
XLogP0.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.22
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

5-chloro-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790784
5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849689
5-chloro-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730529
5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759216
5-chloro-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772470
5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136827308
5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866833
5-chloro-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901121
5-chloro-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902428
4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956027
4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956030
5-chloro-4-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136970372

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (CID 136973824) is 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCO)c1Cl.
What is the InChIKey of 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is IAXGXTRMTOZDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3H2,(H2,9,10,11,13).
What are the key properties of 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 203.63 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).