6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80831818

IUPAC6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCCC(C)C
InChIInChI=1S/C14H26N4/c1-5-7-12-13(15-4)17-10-18-14(12)16-9-6-8-11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyAZAWMXSBDQHTPV-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.32
Rot. Bonds8

About 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80831818) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80831818
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCCC(C)C
InChIInChI=1S/C14H26N4/c1-5-7-12-13(15-4)17-10-18-14(12)16-9-6-8-11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyAZAWMXSBDQHTPV-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine (CID 80831818) is 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCCC(C)C.
What is the InChIKey of 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is AZAWMXSBDQHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-7-12-13(15-4)17-10-18-14(12)16-9-6-8-11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80831818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).