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

C14H26N4 — CID 80775365

IUPAC4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)C(C)CC
InChIInChI=1S/C14H26N4/c1-6-9-12-13(15-8-3)16-10-17-14(12)18(5)11(4)7-2/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyVICHTEBUBZVTIJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds7

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

4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80775365) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80775365
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)C(C)CC
InChIInChI=1S/C14H26N4/c1-6-9-12-13(15-8-3)16-10-17-14(12)18(5)11(4)7-2/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyVICHTEBUBZVTIJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
CID 80829044
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80792671
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80775365) is 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(C)C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is VICHTEBUBZVTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-9-12-13(15-8-3)16-10-17-14(12)18(5)11(4)7-2/h10-11H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).