4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine

C15H26N4 — CID 80992927

IUPAC4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCCC2CC2)n1
InChIInChI=1S/C15H26N4/c1-4-6-13-18-14(16-5-2)11(3)15(19-13)17-10-9-12-7-8-12/h12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyIOBGXJSAOUDKGY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds8

About 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80992927) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80992927
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCCC2CC2)n1
InChIInChI=1S/C15H26N4/c1-4-6-13-18-14(16-5-2)11(3)15(19-13)17-10-9-12-7-8-12/h12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyIOBGXJSAOUDKGY-UHFFFAOYSA-N
XLogP3.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentylpropyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106012944
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 114542059
4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80992927) is 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NCCC2CC2)n1.
What is the InChIKey of 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is IOBGXJSAOUDKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-6-13-18-14(16-5-2)11(3)15(19-13)17-10-9-12-7-8-12/h12H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).