5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine

C15H28N4O — CID 106014837

IUPAC5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCCCOC(C)C)c1C
InChIInChI=1S/C15H28N4O/c1-5-8-16-14-13(4)15(19-11-18-14)17-9-6-7-10-20-12(2)3/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyPFCGMIVPNHRADQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.22
Rot. Bonds10

About 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine

5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 106014837) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID106014837
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCCCOC(C)C)c1C
InChIInChI=1S/C15H28N4O/c1-5-8-16-14-13(4)15(19-11-18-14)17-9-6-7-10-20-12(2)3/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyPFCGMIVPNHRADQ-UHFFFAOYSA-N
XLogP3.22
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.22
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

5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-chloro-6-(4-propan-2-yloxybutylamino)pyrimidine-5-carbaldehyde
CID 114137328
6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine (CID 106014837) is 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCCCOC(C)C)c1C.
What is the InChIKey of 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PFCGMIVPNHRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-8-16-14-13(4)15(19-11-18-14)17-9-6-7-10-20-12(2)3/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106014837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).