6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine

C13H24N4O — CID 82455832

IUPAC6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(C(C)C)nc(OC)c1N
InChIInChI=1S/C13H24N4O/c1-5-6-7-8-15-12-10(14)13(18-4)17-11(16-12)9(2)3/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeySILOQEQQADOCMB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.79
Rot. Bonds7

About 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine

6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82455832) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82455832
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(C(C)C)nc(OC)c1N
InChIInChI=1S/C13H24N4O/c1-5-6-7-8-15-12-10(14)13(18-4)17-11(16-12)9(2)3/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeySILOQEQQADOCMB-UHFFFAOYSA-N
XLogP2.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.79
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

2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455942
6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82455822
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-chloro-4-N-(3-ethoxypropyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82459227
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine (CID 82455832) is 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine is CCCCCNc1nc(C(C)C)nc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is SILOQEQQADOCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-7-8-15-12-10(14)13(18-4)17-11(16-12)9(2)3/h9H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine?
6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).