4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C12H21N5 — CID 80827694

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCN(CC)C1CCN(c2ccnc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-3-16(4-2)10-6-8-17(9-10)11-5-7-14-12(13)15-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyOQELSLTTZJTHKY-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds4

About 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 80827694) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID80827694
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCN(CC)C1CCN(c2ccnc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-3-16(4-2)10-6-8-17(9-10)11-5-7-14-12(13)15-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyOQELSLTTZJTHKY-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 80827694) is 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CCN(CC)C1CCN(c2ccnc(N)n2)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is OQELSLTTZJTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-16(4-2)10-6-8-17(9-10)11-5-7-14-12(13)15-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80827694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).