2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

C17H30N4 — CID 80992555

IUPAC2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(N2CCCC2C(C)C)c1C
InChIInChI=1S/C17H30N4/c1-6-10-18-16-13(5)17(20-15(7-2)19-16)21-11-8-9-14(21)12(3)4/h12,14H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyGJKFVJFJEKPACF-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.79
Rot. Bonds6

About 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80992555) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80992555
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(N2CCCC2C(C)C)c1C
InChIInChI=1S/C17H30N4/c1-6-10-18-16-13(5)17(20-15(7-2)19-16)21-11-8-9-14(21)12(3)4/h12,14H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyGJKFVJFJEKPACF-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 81005903
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516
N,2,5-trimethyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80856296
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
5-bromo-4-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80856446
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
2-ethyl-5-methyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992240
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (CID 80992555) is 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(N2CCCC2C(C)C)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is GJKFVJFJEKPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-10-18-16-13(5)17(20-15(7-2)19-16)21-11-8-9-14(21)12(3)4/h12,14H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80992555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).