4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

C11H22N6 — CID 150272786

IUPAC4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC[C@H](NC)C2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-3-11(13)6-9(15-10(12)16-11)17-5-4-8(7-17)14-2/h6,8,14H,3-5,7,13H2,1-2H3,(H3,12,15,16)/t8-,11?/m0/s1
InChIKeyGDXPNLZMNWVYDS-YMNIQAILSA-N
MW238.34 g/mol
LogP-0.90
Rot. Bonds3

About 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 150272786) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID150272786
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC[C@H](NC)C2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-3-11(13)6-9(15-10(12)16-11)17-5-4-8(7-17)14-2/h6,8,14H,3-5,7,13H2,1-2H3,(H3,12,15,16)/t8-,11?/m0/s1
InChIKeyGDXPNLZMNWVYDS-YMNIQAILSA-N
XLogP-0.90
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 150272786) is 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(N2CC[C@H](NC)C2)NC(N)=N1.
What is the InChIKey of 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is GDXPNLZMNWVYDS-YMNIQAILSA-N. The full InChI is InChI=1S/C11H22N6/c1-3-11(13)6-9(15-10(12)16-11)17-5-4-8(7-17)14-2/h6,8,14H,3-5,7,13H2,1-2H3,(H3,12,15,16)/t8-,11?/m0/s1.
What are the key properties of 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150272786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).