4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine

C13H25N5 — CID 80800370

IUPAC4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C13H25N5/c1-9(2)11(8-18(5)6)16-12-10(3)7-15-13(14-4)17-12/h7,9,11H,8H2,1-6H3,(H2,14,15,16,17)
InChIKeyFBBVLHLNWVBGNN-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.82
Rot. Bonds6

About 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80800370) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80800370
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C13H25N5/c1-9(2)11(8-18(5)6)16-12-10(3)7-15-13(14-4)17-12/h7,9,11H,8H2,1-6H3,(H2,14,15,16,17)
InChIKeyFBBVLHLNWVBGNN-UHFFFAOYSA-N
XLogP1.82
TPSA53.08 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80898011
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80808240
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80847650
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,5-diamine
CID 61476180
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
CID 102984055
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80800370) is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(NC(CN(C)C)C(C)C)n1.
What is the InChIKey of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is FBBVLHLNWVBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-9(2)11(8-18(5)6)16-12-10(3)7-15-13(14-4)17-12/h7,9,11H,8H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80800370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).