4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 136973545

IUPAC4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-14-7-8(10-4-6-2-3-6)11-5-12-9(7)13/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyMAVGAAWTJOQYCU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.60
Rot. Bonds4

About 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one

4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973545) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973545
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-14-7-8(10-4-6-2-3-6)11-5-12-9(7)13/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyMAVGAAWTJOQYCU-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736698
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
5-methoxy-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976591
5-methoxy-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976596
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240772
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679982
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136973545) is 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2CC2)nc[nH]c1=O.
What is the InChIKey of 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MAVGAAWTJOQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-7-8(10-4-6-2-3-6)11-5-12-9(7)13/h5-6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).