4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80945395

IUPAC4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCC)nc(CCC)n1
InChIInChI=1S/C14H26N4/c1-5-8-10-18(4)14-11-13(15-7-3)16-12(17-14)9-6-2/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyZWSFLJVYPKYYHC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds8

About 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80945395) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80945395
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCC)nc(CCC)n1
InChIInChI=1S/C14H26N4/c1-5-8-10-18(4)14-11-13(15-7-3)16-12(17-14)9-6-2/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyZWSFLJVYPKYYHC-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
6-N-ethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80950474
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80944629
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80945395) is 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine is CCCCN(C)c1cc(NCC)nc(CCC)n1.
What is the InChIKey of 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is ZWSFLJVYPKYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-10-18(4)14-11-13(15-7-3)16-12(17-14)9-6-2/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80945395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).