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

C10H14BrN3O — CID 136870770

IUPAC5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCCCC1CC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeySRKMPYOBNGGTJU-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.13
Rot. Bonds4

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

5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136870770) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
PubChem CID136870770
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCCCC1CC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeySRKMPYOBNGGTJU-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870764
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136955958
5-bromo-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
CID 136870661
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
N-(2-propylcyclopropyl)pyrimidin-2-amine
CID 103710927
5-bromo-4-[(1,1-dioxothian-4-yl)amino]-1H-pyrimidin-6-one
CID 137015423
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 136957174

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one (CID 136870770) is 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one is CCCC1CC1Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SRKMPYOBNGGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).