3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

C16H28N4O — CID 80958414

IUPAC3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNc1cc(N2CCCC2CCCO)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-4-17-14-11-15(19-16(18-14)12(2)3)20-9-5-7-13(20)8-6-10-21/h11-13,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyVPCGNWQLCXRWQK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.77
Rot. Bonds7

About 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 80958414) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID80958414
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNc1cc(N2CCCC2CCCO)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-4-17-14-11-15(19-16(18-14)12(2)3)20-9-5-7-13(20)8-6-10-21/h11-13,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyVPCGNWQLCXRWQK-UHFFFAOYSA-N
XLogP2.77
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959790
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80766985
3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964573
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (CID 80958414) is 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is CCNc1cc(N2CCCC2CCCO)nc(C(C)C)n1.
What is the InChIKey of 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is VPCGNWQLCXRWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-17-14-11-15(19-16(18-14)12(2)3)20-9-5-7-13(20)8-6-10-21/h11-13,21H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80958414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).