chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C18H21ClN6 — CID 174463596

IUPACchlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(N)nc3c2CCCC3)n[nH]1.Clc1ccccc1
InChIInChI=1S/C12H16N6.C6H5Cl/c1-7-6-10(18-17-7)15-11-8-4-2-3-5-9(8)14-12(13)16-11;7-6-4-2-1-3-5-6/h6H,2-5H2,1H3,(H4,13,14,15,16,17,18);1-5H
InChIKeyRPDMMMKUTPHMPS-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.05
Rot. Bonds2

About chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 174463596) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Namechlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID174463596
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Namechlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(N)nc3c2CCCC3)n[nH]1.Clc1ccccc1
InChIInChI=1S/C12H16N6.C6H5Cl/c1-7-6-10(18-17-7)15-11-8-4-2-3-5-9(8)14-12(13)16-11;7-6-4-2-1-3-5-6/h6H,2-5H2,1H3,(H4,13,14,15,16,17,18);1-5H
InChIKeyRPDMMMKUTPHMPS-UHFFFAOYSA-N
XLogP4.05
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 174463596) is chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is Cc1cc(Nc2nc(N)nc3c2CCCC3)n[nH]1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is RPDMMMKUTPHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6.C6H5Cl/c1-7-6-10(18-17-7)15-11-8-4-2-3-5-9(8)14-12(13)16-11;7-6-4-2-1-3-5-6/h6H,2-5H2,1H3,(H4,13,14,15,16,17,18);1-5H.
What are the key properties of chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 356.86 g/mol, XLogP of 4.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 174463596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).