6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine

C13H25N5 — CID 80794701

IUPAC6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(N(CC(C)C)CC(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-9(2)7-18(8-10(3)4)12-6-11(15-5)16-13(14)17-12/h6,9-10H,7-8H2,1-5H3,(H3,14,15,16,17)
InChIKeyRGJJQYNSPXSUNG-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.22
Rot. Bonds6

About 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine

6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 80794701) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID80794701
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(N(CC(C)C)CC(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-9(2)7-18(8-10(3)4)12-6-11(15-5)16-13(14)17-12/h6,9-10H,7-8H2,1-5H3,(H3,14,15,16,17)
InChIKeyRGJJQYNSPXSUNG-UHFFFAOYSA-N
XLogP2.22
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954728
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871833
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820634
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
CID 80858428
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
CID 80822214

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 80794701) is 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine is CNc1cc(N(CC(C)C)CC(C)C)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is RGJJQYNSPXSUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-9(2)7-18(8-10(3)4)12-6-11(15-5)16-13(14)17-12/h6,9-10H,7-8H2,1-5H3,(H3,14,15,16,17).
What are the key properties of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 251.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80794701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).