5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136951261

IUPAC5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(CCO)CC2)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-7-8(13-6-14-9(7)16)12-5-10(1-2-10)3-4-15/h6,15H,1-5H2,(H2,12,13,14,16)
InChIKeyMXQOCIGRDHOWFK-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.11
Rot. Bonds5

About 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136951261) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136951261
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(CCO)CC2)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-7-8(13-6-14-9(7)16)12-5-10(1-2-10)3-4-15/h6,15H,1-5H2,(H2,12,13,14,16)
InChIKeyMXQOCIGRDHOWFK-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756220
5-bromo-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772475
5-bromo-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857351
5-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857360
5-bromo-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864258
5-chloro-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136951257
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136951258
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136951260
5-bromo-4-[(4-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956910
5-bromo-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136956971
5-bromo-4-(5-hydroxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 136956975
5-bromo-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136957001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136951261) is 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2(CCO)CC2)c1Br.
What is the InChIKey of 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is MXQOCIGRDHOWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-7-8(13-6-14-9(7)16)12-5-10(1-2-10)3-4-15/h6,15H,1-5H2,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136951261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).