2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine

C13H24N4 — CID 83147401

IUPAC2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C13H24N4/c1-9(13(3,4)5)8-15-11-7-10(2)16-12(14-6)17-11/h7,9H,8H2,1-6H3,(H2,14,15,16,17)
InChIKeyNTZQPHMAXSCCCY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.92
Rot. Bonds4

About 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine (PubChem CID 83147401) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
PubChem CID83147401
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C13H24N4/c1-9(13(3,4)5)8-15-11-7-10(2)16-12(14-6)17-11/h7,9H,8H2,1-6H3,(H2,14,15,16,17)
InChIKeyNTZQPHMAXSCCCY-UHFFFAOYSA-N
XLogP2.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
2-N-tert-butyl-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908535
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine (CID 83147401) is 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine is CNc1nc(C)cc(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The InChIKey is NTZQPHMAXSCCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(13(3,4)5)8-15-11-7-10(2)16-12(14-6)17-11/h7,9H,8H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83147401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).