4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine

C11H18N4O — CID 80818365

IUPAC4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine
SMILESCOC1CCCC1Nc1ncnc(N)c1C
InChIInChI=1S/C11H18N4O/c1-7-10(12)13-6-14-11(7)15-8-4-3-5-9(8)16-2/h6,8-9H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyHIIKKGCTRWDQQE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds3

About 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine

4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80818365) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80818365
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine
SMILESCOC1CCCC1Nc1ncnc(N)c1C
InChIInChI=1S/C11H18N4O/c1-7-10(12)13-6-14-11(7)15-8-4-3-5-9(8)16-2/h6,8-9H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyHIIKKGCTRWDQQE-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine (CID 80818365) is 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine is COC1CCCC1Nc1ncnc(N)c1C.
What is the InChIKey of 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is HIIKKGCTRWDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-10(12)13-6-14-11(7)15-8-4-3-5-9(8)16-2/h6,8-9H,3-5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine?
4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).