6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

C13H25N5 — CID 19134997

IUPAC6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCNc1ncnc(N(CC(C)C)CC(C)C)c1N
InChIInChI=1S/C13H25N5/c1-9(2)6-18(7-10(3)4)13-11(14)12(15-5)16-8-17-13/h8-10H,6-7,14H2,1-5H3,(H,15,16,17)
InChIKeyGOWBTKSQUSISKR-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.22
Rot. Bonds6

About 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19134997) 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-4,5,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19134997
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCNc1ncnc(N(CC(C)C)CC(C)C)c1N
InChIInChI=1S/C13H25N5/c1-9(2)6-18(7-10(3)4)13-11(14)12(15-5)16-8-17-13/h8-10H,6-7,14H2,1-5H3,(H,15,16,17)
InChIKeyGOWBTKSQUSISKR-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

4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
6-N,6-N-dimethyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136904
4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19140965
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961
6-N-(2-chloro-3-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141069
4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19136831
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
6-N-(4-bromo-2-fluorophenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141027
2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80821267
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (CID 19134997) is 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is CNc1ncnc(N(CC(C)C)CC(C)C)c1N.
What is the InChIKey of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is GOWBTKSQUSISKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-9(2)6-18(7-10(3)4)13-11(14)12(15-5)16-8-17-13/h8-10H,6-7,14H2,1-5H3,(H,15,16,17).
What are the key properties of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-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-4,5,6-triamine is sourced from PubChem (CID 19134997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).