6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine

C16H30N4 — CID 80986177

IUPAC6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(N(C)CCC(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-9-14-18-15(17-8-2)13(5)16(19-14)20(6)11-10-12(3)4/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyUTQBSOSFQDCCQA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.65
Rot. Bonds8

About 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80986177) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80986177
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(N(C)CCC(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-9-14-18-15(17-8-2)13(5)16(19-14)20(6)11-10-12(3)4/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyUTQBSOSFQDCCQA-UHFFFAOYSA-N
XLogP3.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987776
4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
CID 103192469
6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986270
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80995591
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
N-methyl-3-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 106918503
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine (CID 80986177) is 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(N(C)CCC(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is UTQBSOSFQDCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-9-14-18-15(17-8-2)13(5)16(19-14)20(6)11-10-12(3)4/h12H,7-11H2,1-6H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).