6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine

C14H18Cl2N8 — CID 58948938

IUPAC6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C14H18Cl2N8/c15-10-2-1-9(4-11(10)16)20-13-21-12(19)22-14(23-13)24-5-7(17)3-8(18)6-24/h1-2,4,7-8H,3,5-6,17-18H2,(H3,19,20,21,22,23)/t7-,8+
InChIKeySZCRFYRJSJRWQD-OCAPTIKFSA-N
MW369.26 g/mol
LogP1.37
Rot. Bonds3

About 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine

6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58948938) has the molecular formula C14H18Cl2N8 and a molecular weight of 369.26 g/mol. Its IUPAC name is 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID58948938
Molecular FormulaC14H18Cl2N8
Molecular Weight369.26 g/mol
Exact Mass368.10
IUPAC Name6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C14H18Cl2N8/c15-10-2-1-9(4-11(10)16)20-13-21-12(19)22-14(23-13)24-5-7(17)3-8(18)6-24/h1-2,4,7-8H,3,5-6,17-18H2,(H3,19,20,21,22,23)/t7-,8+
InChIKeySZCRFYRJSJRWQD-OCAPTIKFSA-N
XLogP1.37
TPSA132.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine (CID 58948938) is 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2C[C@H](N)C[C@H](N)C2)n1.
What is the InChIKey of 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SZCRFYRJSJRWQD-OCAPTIKFSA-N. The full InChI is InChI=1S/C14H18Cl2N8/c15-10-2-1-9(4-11(10)16)20-13-21-12(19)22-14(23-13)24-5-7(17)3-8(18)6-24/h1-2,4,7-8H,3,5-6,17-18H2,(H3,19,20,21,22,23)/t7-,8+.
What are the key properties of 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 369.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-2-N-(3,4-dichlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).