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

C15H30N10 — CID 21104283

IUPAC(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCN(C)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C15H30N10/c1-23(2)13-20-14(24-5-9(16)3-10(17)6-24)22-15(21-13)25-7-11(18)4-12(19)8-25/h9-12H,3-8,16-19H2,1-2H3/t9-,10+,11-,12+
InChIKeyYVHSDZSCXYKZEZ-BKUVIOGVSA-N
MW350.48 g/mol
LogP-2.33
Rot. Bonds3

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

(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21104283) has the molecular formula C15H30N10 and a molecular weight of 350.48 g/mol. Its IUPAC name is (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21104283
Molecular FormulaC15H30N10
Molecular Weight350.48 g/mol
Exact Mass350.27
IUPAC Name(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCN(C)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C15H30N10/c1-23(2)13-20-14(24-5-9(16)3-10(17)6-24)22-15(21-13)25-7-11(18)4-12(19)8-25/h9-12H,3-8,16-19H2,1-2H3/t9-,10+,11-,12+
InChIKeyYVHSDZSCXYKZEZ-BKUVIOGVSA-N
XLogP-2.33
TPSA152.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21104283) is (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is CN(C)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1.
What is the InChIKey of (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is YVHSDZSCXYKZEZ-BKUVIOGVSA-N. The full InChI is InChI=1S/C15H30N10/c1-23(2)13-20-14(24-5-9(16)3-10(17)6-24)22-15(21-13)25-7-11(18)4-12(19)8-25/h9-12H,3-8,16-19H2,1-2H3/t9-,10+,11-,12+.
What are the key properties of (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 350.48 g/mol, XLogP of -2.33, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21104283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).