6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine

C16H15ClN6 — CID 90446108

IUPAC6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
SMILESNc1ncc2c(n1)CCC(Nc1ncnc3ccc(Cl)cc13)C2
InChIInChI=1S/C16H15ClN6/c17-10-1-3-14-12(6-10)15(21-8-20-14)22-11-2-4-13-9(5-11)7-19-16(18)23-13/h1,3,6-8,11H,2,4-5H2,(H2,18,19,23)(H,20,21,22)
InChIKeyBFMQRABDSKDNNN-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.62
Rot. Bonds2

About 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine

6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine (PubChem CID 90446108) has the molecular formula C16H15ClN6 and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine.

Molecular Properties

Compound Name6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
PubChem CID90446108
Molecular FormulaC16H15ClN6
Molecular Weight326.79 g/mol
Exact Mass326.10
IUPAC Name6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
SMILESNc1ncc2c(n1)CCC(Nc1ncnc3ccc(Cl)cc13)C2
InChIInChI=1S/C16H15ClN6/c17-10-1-3-14-12(6-10)15(21-8-20-14)22-11-2-4-13-9(5-11)7-19-16(18)23-13/h1,3,6-8,11H,2,4-5H2,(H2,18,19,23)(H,20,21,22)
InChIKeyBFMQRABDSKDNNN-UHFFFAOYSA-N
XLogP2.62
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
The IUPAC name of 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine (CID 90446108) is 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine.
What is the SMILES notation for 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
The canonical SMILES for 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine is Nc1ncc2c(n1)CCC(Nc1ncnc3ccc(Cl)cc13)C2.
What is the InChIKey of 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
The InChIKey is BFMQRABDSKDNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6/c17-10-1-3-14-12(6-10)15(21-8-20-14)22-11-2-4-13-9(5-11)7-19-16(18)23-13/h1,3,6-8,11H,2,4-5H2,(H2,18,19,23)(H,20,21,22).
What are the key properties of 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine has a molecular weight of 326.79 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine is sourced from PubChem (CID 90446108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).