4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine

C16H31N5 — CID 80782621

IUPAC4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(CC(C)C)CN(C)C)c1CC
InChIInChI=1S/C16H31N5/c1-7-14-15(17-8-2)18-11-19-16(14)20-13(9-12(3)4)10-21(5)6/h11-13H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyNBQMBCQPRNAPJM-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.86
Rot. Bonds9

About 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80782621) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80782621
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(CC(C)C)CN(C)C)c1CC
InChIInChI=1S/C16H31N5/c1-7-14-15(17-8-2)18-11-19-16(14)20-13(9-12(3)4)10-21(5)6/h11-13H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyNBQMBCQPRNAPJM-UHFFFAOYSA-N
XLogP2.86
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949550
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80806994
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
CID 82949631
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-N-ethylpyridine-3,5-diamine
CID 104533595
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746105

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine (CID 80782621) is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine is CCNc1ncnc(NC(CC(C)C)CN(C)C)c1CC.
What is the InChIKey of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is NBQMBCQPRNAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-7-14-15(17-8-2)18-11-19-16(14)20-13(9-12(3)4)10-21(5)6/h11-13H,7-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine?
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.86, 9 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]-6-N,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).