6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

C17H32N4 — CID 80987776

IUPAC6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(N(CC(C)C)CC(C)C)c1C
InChIInChI=1S/C17H32N4/c1-8-15-19-16(18-9-2)14(7)17(20-15)21(10-12(3)4)11-13(5)6/h12-13H,8-11H2,1-7H3,(H,18,19,20)
InChIKeyURWFGUILCIGIAK-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.90
Rot. Bonds8

About 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 80987776) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID80987776
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(N(CC(C)C)CC(C)C)c1C
InChIInChI=1S/C17H32N4/c1-8-15-19-16(18-9-2)14(7)17(20-15)21(10-12(3)4)11-13(5)6/h12-13H,8-11H2,1-7H3,(H,18,19,20)
InChIKeyURWFGUILCIGIAK-UHFFFAOYSA-N
XLogP3.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
CID 103192469
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80788923
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80995591
6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80986177
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (CID 80987776) is 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is CCNc1nc(CC)nc(N(CC(C)C)CC(C)C)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is URWFGUILCIGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-8-15-19-16(18-9-2)14(7)17(20-15)21(10-12(3)4)11-13(5)6/h12-13H,8-11H2,1-7H3,(H,18,19,20).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80987776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).