4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80993450

IUPAC4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C13H24N4/c1-6-8-17(7-2)13-10(5)11(14)15-12(16-13)9(3)4/h9H,6-8H2,1-5H3,(H2,14,15,16)
InChIKeyBWAUQDKCKPXKGY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.73
Rot. Bonds5

About 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80993450) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80993450
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C13H24N4/c1-6-8-17(7-2)13-10(5)11(14)15-12(16-13)9(3)4/h9H,6-8H2,1-5H3,(H2,14,15,16)
InChIKeyBWAUQDKCKPXKGY-UHFFFAOYSA-N
XLogP2.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107403147
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
N-butyl-N-ethyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81005990
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995028
2-tert-butyl-5-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80982036
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80971702

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (CID 80993450) is 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is CCCN(CC)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is BWAUQDKCKPXKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-8-17(7-2)13-10(5)11(14)15-12(16-13)9(3)4/h9H,6-8H2,1-5H3,(H2,14,15,16).
What are the key properties of 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).