5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

C13H22N4O2 — CID 136958283

IUPAC5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H22N4O2/c1-14-9-4-6-10(7-5-9)17(2)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyNANMXQFUKKNURV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.75
Rot. Bonds4

About 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136958283) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136958283
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H22N4O2/c1-14-9-4-6-10(7-5-9)17(2)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyNANMXQFUKKNURV-UHFFFAOYSA-N
XLogP0.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136958283) is 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CNC1CCC(N(C)c2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is NANMXQFUKKNURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-9-4-6-10(7-5-9)17(2)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18).
What are the key properties of 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).