2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine

C28H32N6 — CID 102440107

IUPAC2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine
SMILESCN(C)c1ccnc(N[C@H](c2ccccc2)[C@H](Nc2cc(N(C)C)ccn2)c2ccccc2)c1
InChIInChI=1S/C28H32N6/c1-33(2)23-15-17-29-25(19-23)31-27(21-11-7-5-8-12-21)28(22-13-9-6-10-14-22)32-26-20-24(34(3)4)16-18-30-26/h5-20,27-28H,1-4H3,(H,29,31)(H,30,32)/t27-,28-/m1/s1
InChIKeySYAWLXILVVPMTJ-VSGBNLITSA-N
MW452.61 g/mol
LogP5.62
Rot. Bonds9

About 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine

2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine (PubChem CID 102440107) has the molecular formula C28H32N6 and a molecular weight of 452.61 g/mol. Its IUPAC name is 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine
PubChem CID102440107
Molecular FormulaC28H32N6
Molecular Weight452.61 g/mol
Exact Mass452.27
IUPAC Name2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine
SMILESCN(C)c1ccnc(N[C@H](c2ccccc2)[C@H](Nc2cc(N(C)C)ccn2)c2ccccc2)c1
InChIInChI=1S/C28H32N6/c1-33(2)23-15-17-29-25(19-23)31-27(21-11-7-5-8-12-21)28(22-13-9-6-10-14-22)32-26-20-24(34(3)4)16-18-30-26/h5-20,27-28H,1-4H3,(H,29,31)(H,30,32)/t27-,28-/m1/s1
InChIKeySYAWLXILVVPMTJ-VSGBNLITSA-N
XLogP5.62
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine with MolForge

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Related Compounds

CID 11565518
CID 11565518
CID 447721
CID 447721
CID 667555
CID 667555
CID 25020250
CID 25020250
CID 56947354
CID 56947354
CID 137701509
CID 137701509
CID 2740174
CID 2740174
CID 2813100
CID 2813100
CID 5329417
CID 5329417
CID 921562
CID 921562
CID 44820374
CID 44820374
CID 11000026
CID 11000026

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
The IUPAC name of 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine (CID 102440107) is 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine is CN(C)c1ccnc(N[C@H](c2ccccc2)[C@H](Nc2cc(N(C)C)ccn2)c2ccccc2)c1.
What is the InChIKey of 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
The InChIKey is SYAWLXILVVPMTJ-VSGBNLITSA-N. The full InChI is InChI=1S/C28H32N6/c1-33(2)23-15-17-29-25(19-23)31-27(21-11-7-5-8-12-21)28(22-13-9-6-10-14-22)32-26-20-24(34(3)4)16-18-30-26/h5-20,27-28H,1-4H3,(H,29,31)(H,30,32)/t27-,28-/m1/s1.
What are the key properties of 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine has a molecular weight of 452.61 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R,2R)-2-[[4-(dimethylamino)-2-pyridinyl]amino]-1,2-diphenylethyl]-4-N,4-N-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 102440107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).