4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C12H17N3O2 — CID 136948174

IUPAC4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C3CC3)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c1-17-9-10(14-7-15-11(9)16)13-6-12(4-5-12)8-2-3-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyQKXQKQNWZVAMNM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.38
Rot. Bonds5

About 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136948174) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136948174
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C3CC3)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c1-17-9-10(14-7-15-11(9)16)13-6-12(4-5-12)8-2-3-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyQKXQKQNWZVAMNM-UHFFFAOYSA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852210
4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136852221
5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857184
4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136857204
5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867389

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136948174) is 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(C3CC3)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QKXQKQNWZVAMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-9-10(14-7-15-11(9)16)13-6-12(4-5-12)8-2-3-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136948174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).