6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine

C15H26N4O — CID 112912645

IUPAC6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCC2CCCO2)n1
InChIInChI=1S/C15H26N4O/c1-3-4-5-8-16-14-10-12(2)18-15(19-14)17-11-13-7-6-9-20-13/h10,13H,3-9,11H2,1-2H3,(H2,16,17,18,19)
InChIKeyZEVPGGWSLQQQTL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.98
Rot. Bonds8

About 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine

6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112912645) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112912645
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCC2CCCO2)n1
InChIInChI=1S/C15H26N4O/c1-3-4-5-8-16-14-10-12(2)18-15(19-14)17-11-13-7-6-9-20-13/h10,13H,3-9,11H2,1-2H3,(H2,16,17,18,19)
InChIKeyZEVPGGWSLQQQTL-UHFFFAOYSA-N
XLogP2.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.98
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

4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912581
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912611
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912596
6-methyl-4-N-[(3-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912591
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912428
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912410
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912686

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine (CID 112912645) is 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(NCC2CCCO2)n1.
What is the InChIKey of 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is ZEVPGGWSLQQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-4-5-8-16-14-10-12(2)18-15(19-14)17-11-13-7-6-9-20-13/h10,13H,3-9,11H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine?
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112912645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).