4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one

C11H16N2O — CID 176962482

IUPAC4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1C1(C(C)C)CC1
InChIInChI=1S/C11H16N2O/c1-7(2)11(4-5-11)9-8(3)12-6-13-10(9)14/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyKURIOJKXFSYRFG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds2

About 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one

4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 176962482) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID176962482
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1C1(C(C)C)CC1
InChIInChI=1S/C11H16N2O/c1-7(2)11(4-5-11)9-8(3)12-6-13-10(9)14/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyKURIOJKXFSYRFG-UHFFFAOYSA-N
XLogP1.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-di(propan-2-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 170411221
5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 170991554
5-ethenyl-4-methyl-1H-pyrimidin-6-one
CID 142197418
4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979735
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135422502
6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39732424
5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135741818
4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
CID 142610528
5-chloro-8-methyl-3H-quinazolin-4-one
CID 136922473
3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
CID 137274745
5-chloro-4-(1-fluoroethyl)-1H-pyrimidin-6-one
CID 135440522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one (CID 176962482) is 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one is Cc1nc[nH]c(=O)c1C1(C(C)C)CC1.
What is the InChIKey of 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is KURIOJKXFSYRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)11(4-5-11)9-8(3)12-6-13-10(9)14/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one?
4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 176962482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).