6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine

C14H19N5 — CID 80791770

IUPAC6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCCc2ccccc2)nc(N)n1
InChIInChI=1S/C14H19N5/c1-16-12-10-13(19-14(15)18-12)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyFRCNCNABDNCWIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.15
Rot. Bonds6

About 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine

6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 80791770) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
PubChem CID80791770
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCCc2ccccc2)nc(N)n1
InChIInChI=1S/C14H19N5/c1-16-12-10-13(19-14(15)18-12)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyFRCNCNABDNCWIH-UHFFFAOYSA-N
XLogP2.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817210
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367
6-N-ethyl-2-methylsulfanyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80775330
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80847357
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine (CID 80791770) is 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine is CNc1cc(NCCCc2ccccc2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is FRCNCNABDNCWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-16-12-10-13(19-14(15)18-12)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 257.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).