4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C15H28N4 — CID 80754474

IUPAC4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(NCC)ncc1C
InChIInChI=1S/C15H28N4/c1-5-8-10-19(11-9-6-2)14-13(4)12-17-15(18-14)16-7-3/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyBLSMGNWMHZROFT-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.62
Rot. Bonds9

About 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 80754474) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID80754474
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(NCC)ncc1C
InChIInChI=1S/C15H28N4/c1-5-8-10-19(11-9-6-2)14-13(4)12-17-15(18-14)16-7-3/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyBLSMGNWMHZROFT-UHFFFAOYSA-N
XLogP3.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 80826529
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
3-[ethyl-[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 80805778
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80896004
4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80799404
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 80806443

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 80754474) is 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCCCN(CCCC)c1nc(NCC)ncc1C.
What is the InChIKey of 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is BLSMGNWMHZROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-8-10-19(11-9-6-2)14-13(4)12-17-15(18-14)16-7-3/h12H,5-11H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80754474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).