3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine

C14H19N5 — CID 99934058

IUPAC3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
SMILESC[C@@H](Cc1cnccn1)N(C)Cc1cccnc1N
InChIInChI=1S/C14H19N5/c1-11(8-13-9-16-6-7-17-13)19(2)10-12-4-3-5-18-14(12)15/h3-7,9,11H,8,10H2,1-2H3,(H2,15,18)/t11-/m0/s1
InChIKeySVWOJTSJZVXJKH-NSHDSACASA-N
MW257.34 g/mol
LogP1.52
Rot. Bonds5

About 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine

3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine (PubChem CID 99934058) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
PubChem CID99934058
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
SMILESC[C@@H](Cc1cnccn1)N(C)Cc1cccnc1N
InChIInChI=1S/C14H19N5/c1-11(8-13-9-16-6-7-17-13)19(2)10-12-4-3-5-18-14(12)15/h3-7,9,11H,8,10H2,1-2H3,(H2,15,18)/t11-/m0/s1
InChIKeySVWOJTSJZVXJKH-NSHDSACASA-N
XLogP1.52
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine (CID 99934058) is 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine is C[C@@H](Cc1cnccn1)N(C)Cc1cccnc1N.
What is the InChIKey of 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine?
The InChIKey is SVWOJTSJZVXJKH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5/c1-11(8-13-9-16-6-7-17-13)19(2)10-12-4-3-5-18-14(12)15/h3-7,9,11H,8,10H2,1-2H3,(H2,15,18)/t11-/m0/s1.
What are the key properties of 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine?
3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 99934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).