3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine

C12H20N4 — CID 67444947

IUPAC3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine
SMILESCc1nc(N[C@H]2CCNC2)c(C)c(N)c1C
InChIInChI=1S/C12H20N4/c1-7-9(3)15-12(8(2)11(7)13)16-10-4-5-14-6-10/h10,14H,4-6H2,1-3H3,(H3,13,15,16)/t10-/m0/s1
InChIKeyBKWFNEBQUFUXEW-JTQLQIEISA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds2

About 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine

3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine (PubChem CID 67444947) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine.

Molecular Properties

Compound Name3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine
PubChem CID67444947
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine
SMILESCc1nc(N[C@H]2CCNC2)c(C)c(N)c1C
InChIInChI=1S/C12H20N4/c1-7-9(3)15-12(8(2)11(7)13)16-10-4-5-14-6-10/h10,14H,4-6H2,1-3H3,(H3,13,15,16)/t10-/m0/s1
InChIKeyBKWFNEBQUFUXEW-JTQLQIEISA-N
XLogP1.36
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine?
The IUPAC name of 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine (CID 67444947) is 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine.
What is the SMILES notation for 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine?
The canonical SMILES for 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine is Cc1nc(N[C@H]2CCNC2)c(C)c(N)c1C.
What is the InChIKey of 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine?
The InChIKey is BKWFNEBQUFUXEW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4/c1-7-9(3)15-12(8(2)11(7)13)16-10-4-5-14-6-10/h10,14H,4-6H2,1-3H3,(H3,13,15,16)/t10-/m0/s1.
What are the key properties of 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine?
3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine is sourced from PubChem (CID 67444947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).