6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine

C8H15N5 — CID 80766256

IUPAC6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C8H15N5/c1-3-4-11-7-5-6(10-2)12-8(9)13-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyIWIQEXYNSJCONF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds4

About 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine

6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80766256) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
PubChem CID80766256
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C8H15N5/c1-3-4-11-7-5-6(10-2)12-8(9)13-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyIWIQEXYNSJCONF-UHFFFAOYSA-N
XLogP0.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 113479527
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine (CID 80766256) is 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is IWIQEXYNSJCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-4-11-7-5-6(10-2)12-8(9)13-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine?
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 181.24 g/mol, XLogP of 0.92, 4 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-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80766256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).