N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C16H28N4 — CID 79184229

IUPACN-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CC(C)C(C)C1
InChIInChI=1S/C16H28N4/c1-6-17-7-14-15(8-18-16(19-14)11(2)3)20-9-12(4)13(5)10-20/h8,11-13,17H,6-7,9-10H2,1-5H3
InChIKeyCVXAYLXCYJIBNK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.80
Rot. Bonds5

About N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 79184229) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID79184229
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CC(C)C(C)C1
InChIInChI=1S/C16H28N4/c1-6-17-7-14-15(8-18-16(19-14)11(2)3)20-9-12(4)13(5)10-20/h8,11-13,17H,6-7,9-10H2,1-5H3
InChIKeyCVXAYLXCYJIBNK-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62280514
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 103539456
N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62279580
N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine
CID 62294317
N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62282645
N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62289744
5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 79180616
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62278808
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63635364
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086536
N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
CID 62297528

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 79184229) is N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1N1CC(C)C(C)C1.
What is the InChIKey of N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is CVXAYLXCYJIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-7-14-15(8-18-16(19-14)11(2)3)20-9-12(4)13(5)10-20/h8,11-13,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 79184229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).