1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine

C14H24N4O — CID 106738126

IUPAC1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1ccnc(NC(CN)C2CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-9-19-13-7-8-16-14(18-13)17-12(10-15)11-5-3-4-6-11/h7-8,11-12H,2-6,9-10,15H2,1H3,(H,16,17,18)
InChIKeyDIMPRTYBGRRXNT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds7

About 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine

1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 106738126) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID106738126
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1ccnc(NC(CN)C2CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-9-19-13-7-8-16-14(18-13)17-12(10-15)11-5-3-4-6-11/h7-8,11-12H,2-6,9-10,15H2,1H3,(H,16,17,18)
InChIKeyDIMPRTYBGRRXNT-UHFFFAOYSA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530
1-cyclopentyl-N-(6-propoxypyrazin-2-yl)ethane-1,2-diamine
CID 106738232
N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637766
1-cyclopropyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 65189145
1-cyclohexyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 115309503
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112638834
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
3-cyclopropyl-3-[(4-ethoxypyrimidin-2-yl)amino]propanoic acid
CID 112636256
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (CID 106738126) is 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is CCCOc1ccnc(NC(CN)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is DIMPRTYBGRRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-9-19-13-7-8-16-14(18-13)17-12(10-15)11-5-3-4-6-11/h7-8,11-12H,2-6,9-10,15H2,1H3,(H,16,17,18).
What are the key properties of 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106738126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).