5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one

C8H10ClN3O — CID 136977188

IUPAC5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C8H10ClN3O/c1-8(2-3-8)12-6-5(9)7(13)11-4-10-6/h4H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyZJFRRAKOYJEADI-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.39
Rot. Bonds2

About 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136977188) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
PubChem CID136977188
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C8H10ClN3O/c1-8(2-3-8)12-6-5(9)7(13)11-4-10-6/h4H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyZJFRRAKOYJEADI-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736700
5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757524
5-chloro-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852214
5-chloro-4-[(2-ethylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136857221
5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870765
5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136870776
5-chloro-4-[[1-chloro-2-(chloromethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136918127
5-chloro-4-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136970685
5-chloro-4-[cyclopropyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136970732
5-chloro-4-[cyclopropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970741
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750
4-[butan-2-yl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970756

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one (CID 136977188) is 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one is CC1(Nc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZJFRRAKOYJEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-8(2-3-8)12-6-5(9)7(13)11-4-10-6/h4H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 199.64 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).