4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

C12H21N5 — CID 155513736

IUPAC4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCCNC1CN(c2cc(C(C)C)nc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-4-14-9-6-17(7-9)11-5-10(8(2)3)15-12(13)16-11/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)
InChIKeySUHLEUOFCFIBIR-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds4

About 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 155513736) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID155513736
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCCNC1CN(c2cc(C(C)C)nc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-4-14-9-6-17(7-9)11-5-10(8(2)3)15-12(13)16-11/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)
InChIKeySUHLEUOFCFIBIR-UHFFFAOYSA-N
XLogP0.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (CID 155513736) is 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is CCNC1CN(c2cc(C(C)C)nc(N)n2)C1.
What is the InChIKey of 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is SUHLEUOFCFIBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-14-9-6-17(7-9)11-5-10(8(2)3)15-12(13)16-11/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16).
What are the key properties of 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155513736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).