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

Name: 4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₁N₅ — CID 155513736

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID	155513736
Molecular Formula	C₁₂H₂₁N₅
Molecular Weight	235.33 g/mol
Exact Mass	235.18
IUPAC Name	4-[3-(ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILES	CCNC1CN(c2cc(C(C)C)nc(N)n2)C1
InChI	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)
InChIKey	SUHLEUOFCFIBIR-UHFFFAOYSA-N
XLogP	0.98
TPSA	67.07 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.33
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 155513736 — identifiers, structure, computed properties (public domain)

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