1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C22H34N10 — CID 21104268

IUPAC1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESNC1CC(N)CN(c2nc(Nc3ccc4c(c3)CCC4)nc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C22H34N10/c23-15-7-16(24)10-31(9-15)21-28-20(27-19-5-4-13-2-1-3-14(13)6-19)29-22(30-21)32-11-17(25)8-18(26)12-32/h4-6,15-18H,1-3,7-12,23-26H2,(H,27,28,29,30)
InChIKeyVXPYKTQPIXVMQF-UHFFFAOYSA-N
MW438.58 g/mol
LogP-0.17
Rot. Bonds4

About 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21104268) has the molecular formula C22H34N10 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21104268
Molecular FormulaC22H34N10
Molecular Weight438.58 g/mol
Exact Mass438.30
IUPAC Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESNC1CC(N)CN(c2nc(Nc3ccc4c(c3)CCC4)nc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C22H34N10/c23-15-7-16(24)10-31(9-15)21-28-20(27-19-5-4-13-2-1-3-14(13)6-19)29-22(30-21)32-11-17(25)8-18(26)12-32/h4-6,15-18H,1-3,7-12,23-26H2,(H,27,28,29,30)
InChIKeyVXPYKTQPIXVMQF-UHFFFAOYSA-N
XLogP-0.17
TPSA161.26 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 58948938
1-[4-(3H-benzimidazol-5-ylamino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103841
3-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]fluoren-9-one
CID 58949073
(3R,5S)-1-[4-(3-chloro-4-nitroanilino)-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949227
5-N-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]pyridine-3,5-diamine
CID 58949137
1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-nitroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103989
5-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(sulfonylamino)phenol
CID 21103496
(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 140519096
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 161022740
3-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzenecarboximidamide
CID 58865539
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-[[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-[(3S,4R)-3,4-diaminopyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 58949345

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21104268) is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is NC1CC(N)CN(c2nc(Nc3ccc4c(c3)CCC4)nc(N3CC(N)CC(N)C3)n2)C1.
What is the InChIKey of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is VXPYKTQPIXVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N10/c23-15-7-16(24)10-31(9-15)21-28-20(27-19-5-4-13-2-1-3-14(13)6-19)29-22(30-21)32-11-17(25)8-18(26)12-32/h4-6,15-18H,1-3,7-12,23-26H2,(H,27,28,29,30).
What are the key properties of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
1-[4-(3,5-diaminopiperidin-1-yl)-6-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 438.58 g/mol, XLogP of -0.17, 4 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-(2,3-dihydro-1H-inden-5-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21104268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).