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

C14H27N5 — CID 80808240

IUPAC4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C14H27N5/c1-10(2)7-12(9-19(5)6)17-13-11(3)8-16-14(15-4)18-13/h8,10,12H,7,9H2,1-6H3,(H2,15,16,17,18)
InChIKeyQQGUMAPTPMLZBF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.21
Rot. Bonds7

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

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80808240) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80808240
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C14H27N5/c1-10(2)7-12(9-19(5)6)17-13-11(3)8-16-14(15-4)18-13/h8,10,12H,7,9H2,1-6H3,(H2,15,16,17,18)
InChIKeyQQGUMAPTPMLZBF-UHFFFAOYSA-N
XLogP2.21
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80806994
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800370
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326180
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80847650
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80898011
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80808240) is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(NC(CC(C)C)CN(C)C)n1.
What is the InChIKey of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is QQGUMAPTPMLZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-10(2)7-12(9-19(5)6)17-13-11(3)8-16-14(15-4)18-13/h8,10,12H,7,9H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80808240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).