4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C11H19N5 — CID 42624149

IUPAC4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-3-8-6-10(15-11(12)14-8)16-5-4-9(7-16)13-2/h6,9,13H,3-5,7H2,1-2H3,(H2,12,14,15)/t9-/m1/s1
InChIKeyYTSCCHQLULFXJD-SECBINFHSA-N
MW221.31 g/mol
LogP0.42
Rot. Bonds3

About 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 42624149) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID42624149
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-3-8-6-10(15-11(12)14-8)16-5-4-9(7-16)13-2/h6,9,13H,3-5,7H2,1-2H3,(H2,12,14,15)/t9-/m1/s1
InChIKeyYTSCCHQLULFXJD-SECBINFHSA-N
XLogP0.42
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 42624149) is 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1.
What is the InChIKey of 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is YTSCCHQLULFXJD-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5/c1-3-8-6-10(15-11(12)14-8)16-5-4-9(7-16)13-2/h6,9,13H,3-5,7H2,1-2H3,(H2,12,14,15)/t9-/m1/s1.
What are the key properties of 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42624149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).