(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C9H14N4 — CID 54765326

IUPAC(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESC[C@H]1CCc2c(N)nc(N)nc2C1
InChIInChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
InChIKeyGXOHKQZNOVLQOK-YFKPBYRVSA-N
MW178.24 g/mol
LogP0.77
Rot. Bonds

About (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 54765326) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID54765326
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESC[C@H]1CCc2c(N)nc(N)nc2C1
InChIInChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
InChIKeyGXOHKQZNOVLQOK-YFKPBYRVSA-N
XLogP0.77
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 54765326) is (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is C[C@H]1CCc2c(N)nc(N)nc2C1.
What is the InChIKey of (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is GXOHKQZNOVLQOK-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1.
What are the key properties of (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 178.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 54765326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).