N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine

C16H28N4 — CID 80959790

IUPACN-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2C(C)C)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-6-17-14-10-15(19-16(18-14)12(4)5)20-9-7-8-13(20)11(2)3/h10-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyKAIFCJDNLRZTII-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine

N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80959790) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80959790
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2C(C)C)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-6-17-14-10-15(19-16(18-14)12(4)5)20-9-7-8-13(20)11(2)3/h10-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyKAIFCJDNLRZTII-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80958414
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
N-ethyl-6-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103541756
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961869
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80967249
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
[2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80969506
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967631

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80959790) is N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCCC2C(C)C)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is KAIFCJDNLRZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-14-10-15(19-16(18-14)12(4)5)20-9-7-8-13(20)11(2)3/h10-13H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80959790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).