1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine

C10H16N4O — CID 63252268

IUPAC1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
SMILESCOc1ccnc(NC2CCCC2N)n1
InChIInChI=1S/C10H16N4O/c1-15-9-5-6-12-10(14-9)13-8-4-2-3-7(8)11/h5-8H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyYWTSJIWWAGXNJO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.78
Rot. Bonds3

About 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine

1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine (PubChem CID 63252268) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
PubChem CID63252268
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
SMILESCOc1ccnc(NC2CCCC2N)n1
InChIInChI=1S/C10H16N4O/c1-15-9-5-6-12-10(14-9)13-8-4-2-3-7(8)11/h5-8H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyYWTSJIWWAGXNJO-UHFFFAOYSA-N
XLogP0.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine (CID 63252268) is 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine is COc1ccnc(NC2CCCC2N)n1.
What is the InChIKey of 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine?
The InChIKey is YWTSJIWWAGXNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-9-5-6-12-10(14-9)13-8-4-2-3-7(8)11/h5-8H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine?
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 63252268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).