6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride

C11H19ClN4 — CID 44531901

IUPAC6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
SMILESCC(C)C1CCc2nc(N)nc(N)c2C1.Cl
InChIInChI=1S/C11H18N4.ClH/c1-6(2)7-3-4-9-8(5-7)10(12)15-11(13)14-9;/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15);1H
InChIKeyMPHVHTHFRRKPQJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.82
Rot. Bonds1

About 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride

6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride (PubChem CID 44531901) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
PubChem CID44531901
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
SMILESCC(C)C1CCc2nc(N)nc(N)c2C1.Cl
InChIInChI=1S/C11H18N4.ClH/c1-6(2)7-3-4-9-8(5-7)10(12)15-11(13)14-9;/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15);1H
InChIKeyMPHVHTHFRRKPQJ-UHFFFAOYSA-N
XLogP1.82
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride (CID 44531901) is 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride is CC(C)C1CCc2nc(N)nc(N)c2C1.Cl.
What is the InChIKey of 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
The InChIKey is MPHVHTHFRRKPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.ClH/c1-6(2)7-3-4-9-8(5-7)10(12)15-11(13)14-9;/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15);1H.
What are the key properties of 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride?
6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).