1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C27H38N10 — CID 21103835

IUPAC1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESNC1CC(N)CN(c2nc(NC(Cc3ccccc3)c3ccccc3)nc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C27H38N10/c28-20-12-21(29)15-36(14-20)26-33-25(34-27(35-26)37-16-22(30)13-23(31)17-37)32-24(19-9-5-2-6-10-19)11-18-7-3-1-4-8-18/h1-10,20-24H,11-17,28-31H2,(H,32,33,34,35)
InChIKeyLDNHKVUDMUJDSS-UHFFFAOYSA-N
MW502.67 g/mol
LogP1.00
Rot. Bonds7

About 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21103835) has the molecular formula C27H38N10 and a molecular weight of 502.67 g/mol. Its IUPAC name is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21103835
Molecular FormulaC27H38N10
Molecular Weight502.67 g/mol
Exact Mass502.33
IUPAC Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESNC1CC(N)CN(c2nc(NC(Cc3ccccc3)c3ccccc3)nc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C27H38N10/c28-20-12-21(29)15-36(14-20)26-33-25(34-27(35-26)37-16-22(30)13-23(31)17-37)32-24(19-9-5-2-6-10-19)11-18-7-3-1-4-8-18/h1-10,20-24H,11-17,28-31H2,(H,32,33,34,35)
InChIKeyLDNHKVUDMUJDSS-UHFFFAOYSA-N
XLogP1.00
TPSA161.26 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.67
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(1S,2R)-2-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,2-diphenylethanol
CID 69423563
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(2-phenylhydrazinyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949081
3-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-3-oxopropanamide
CID 91530628
N'-[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]benzenesulfonohydrazide
CID 21104239
(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58948876
(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(2-pyridin-2-ylhydrazinyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949232
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949013
1-[4-(3,5-diaminopiperidin-1-yl)-6-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103890
1-[4-(4-butan-2-ylanilino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104211
1-[4-(4-amino-3-phenylmethoxyanilino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104166
1-[4-(3,5-diaminopiperidin-1-yl)-6-[2-[2-(trifluoromethyl)phenyl]hydrazinyl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104134
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(3,4-dichloroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 169426364

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21103835) is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is NC1CC(N)CN(c2nc(NC(Cc3ccccc3)c3ccccc3)nc(N3CC(N)CC(N)C3)n2)C1.
What is the InChIKey of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is LDNHKVUDMUJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N10/c28-20-12-21(29)15-36(14-20)26-33-25(34-27(35-26)37-16-22(30)13-23(31)17-37)32-24(19-9-5-2-6-10-19)11-18-7-3-1-4-8-18/h1-10,20-24H,11-17,28-31H2,(H,32,33,34,35).
What are the key properties of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 502.67 g/mol, XLogP of 1.00, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(1,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21103835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).