4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C15H26N4O — CID 106007220

IUPAC4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCCCC2CCCC2)c1N
InChIInChI=1S/C15H26N4O/c1-11(2)20-15-13(16)14(18-10-19-15)17-9-5-8-12-6-3-4-7-12/h10-12H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyYYOXZTGWFIAMFX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.23
Rot. Bonds7

About 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 106007220) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID106007220
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCCCC2CCCC2)c1N
InChIInChI=1S/C15H26N4O/c1-11(2)20-15-13(16)14(18-10-19-15)17-9-5-8-12-6-3-4-7-12/h10-12H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyYYOXZTGWFIAMFX-UHFFFAOYSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 82942129
5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106811786
5-bromo-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106014958
4-(2-cyclopropylethoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 106199609
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
6-propan-2-yloxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-4,5-diamine
CID 106426289
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(3-methylbut-2-enyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106182572
1-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244013
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 106007220) is 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(NCCCC2CCCC2)c1N.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is YYOXZTGWFIAMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)20-15-13(16)14(18-10-19-15)17-9-5-8-12-6-3-4-7-12/h10-12H,3-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 106007220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).