2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C11H20N4 — CID 80795078

IUPAC2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)CCC(C)C)n1
InChIInChI=1S/C11H20N4/c1-9(2)6-8-15(4)10-5-7-13-11(12-3)14-10/h5,7,9H,6,8H2,1-4H3,(H,12,13,14)
InChIKeyYSYDQHLBALZVLA-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.00
Rot. Bonds5

About 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 80795078) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID80795078
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)CCC(C)C)n1
InChIInChI=1S/C11H20N4/c1-9(2)6-8-15(4)10-5-7-13-11(12-3)14-10/h5,7,9H,6,8H2,1-4H3,(H,12,13,14)
InChIKeyYSYDQHLBALZVLA-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848543
N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811129
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80900495
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 80795078) is 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is CNc1nccc(N(C)CCC(C)C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is YSYDQHLBALZVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)6-8-15(4)10-5-7-13-11(12-3)14-10/h5,7,9H,6,8H2,1-4H3,(H,12,13,14).
What are the key properties of 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80795078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).