6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine

C13H24N4O2 — CID 82942129

IUPAC6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
SMILESCCCOCCCNc1ncnc(OC(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-4-7-18-8-5-6-15-12-11(14)13(17-9-16-12)19-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyPXNYHPWRIIBRON-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds9

About 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine

6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine (PubChem CID 82942129) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
PubChem CID82942129
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
SMILESCCCOCCCNc1ncnc(OC(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-4-7-18-8-5-6-15-12-11(14)13(17-9-16-12)19-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyPXNYHPWRIIBRON-UHFFFAOYSA-N
XLogP2.07
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106007220
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
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
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine (CID 82942129) is 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine is CCCOCCCNc1ncnc(OC(C)C)c1N.
What is the InChIKey of 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine?
The InChIKey is PXNYHPWRIIBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-7-18-8-5-6-15-12-11(14)13(17-9-16-12)19-10(2)3/h9-10H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine?
6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82942129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).