6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H28N4O — CID 80984840

IUPAC6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NC2CCCC2OC)c1C
InChIInChI=1S/C16H28N4O/c1-6-17-15-11(4)16(20-14(19-15)10(2)3)18-12-8-7-9-13(12)21-5/h10,12-13H,6-9H2,1-5H3,(H2,17,18,19,20)
InChIKeyFKUIFEQDEWUBDY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.32
Rot. Bonds6

About 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80984840) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80984840
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NC2CCCC2OC)c1C
InChIInChI=1S/C16H28N4O/c1-6-17-15-11(4)16(20-14(19-15)10(2)3)18-12-8-7-9-13(12)21-5/h10,12-13H,6-9H2,1-5H3,(H2,17,18,19,20)
InChIKeyFKUIFEQDEWUBDY-UHFFFAOYSA-N
XLogP3.32
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80984840) is 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NC2CCCC2OC)c1C.
What is the InChIKey of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is FKUIFEQDEWUBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-17-15-11(4)16(20-14(19-15)10(2)3)18-12-8-7-9-13(12)21-5/h10,12-13H,6-9H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).