6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine

C22H28N6 — CID 90656640

IUPAC6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(C(CN)Cc3cc(C)cc(N)n3)n2)c1
InChIInChI=1S/C22H28N6/c1-14-8-18(27-21(24)10-14)7-6-17-4-3-5-20(26-17)16(13-23)12-19-9-15(2)11-22(25)28-19/h3-5,8-11,16H,6-7,12-13,23H2,1-2H3,(H2,24,27)(H2,25,28)
InChIKeyHDTLSUGSWFASAI-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.72
Rot. Bonds7

About 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine

6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 90656640) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
PubChem CID90656640
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(C(CN)Cc3cc(C)cc(N)n3)n2)c1
InChIInChI=1S/C22H28N6/c1-14-8-18(27-21(24)10-14)7-6-17-4-3-5-20(26-17)16(13-23)12-19-9-15(2)11-22(25)28-19/h3-5,8-11,16H,6-7,12-13,23H2,1-2H3,(H2,24,27)(H2,25,28)
InChIKeyHDTLSUGSWFASAI-UHFFFAOYSA-N
XLogP2.72
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine (CID 90656640) is 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cccc(C(CN)Cc3cc(C)cc(N)n3)n2)c1.
What is the InChIKey of 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is HDTLSUGSWFASAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-14-8-18(27-21(24)10-14)7-6-17-4-3-5-20(26-17)16(13-23)12-19-9-15(2)11-22(25)28-19/h3-5,8-11,16H,6-7,12-13,23H2,1-2H3,(H2,24,27)(H2,25,28).
What are the key properties of 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 376.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[1-amino-3-(6-amino-4-methyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 90656640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).