6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine

C13H22N4O2 — CID 122557698

IUPAC6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine
SMILESCOCC1(CNc2cc(OC)nc(N)n2)CCCC1
InChIInChI=1S/C13H22N4O2/c1-18-9-13(5-3-4-6-13)8-15-10-7-11(19-2)17-12(14)16-10/h7H,3-6,8-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyWWWCCEDIVPBYHS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.69
Rot. Bonds6

About 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine

6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine (PubChem CID 122557698) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine
PubChem CID122557698
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine
SMILESCOCC1(CNc2cc(OC)nc(N)n2)CCCC1
InChIInChI=1S/C13H22N4O2/c1-18-9-13(5-3-4-6-13)8-15-10-7-11(19-2)17-12(14)16-10/h7H,3-6,8-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyWWWCCEDIVPBYHS-UHFFFAOYSA-N
XLogP1.69
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine (CID 122557698) is 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine is COCC1(CNc2cc(OC)nc(N)n2)CCCC1.
What is the InChIKey of 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is WWWCCEDIVPBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-9-13(5-3-4-6-13)8-15-10-7-11(19-2)17-12(14)16-10/h7H,3-6,8-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 266.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 122557698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).