4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine

C9H16N4 — CID 154271660

IUPAC4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
SMILESCC1(N)N=C(N)NC2=C1CCCC2
InChIInChI=1S/C9H16N4/c1-9(11)6-4-2-3-5-7(6)12-8(10)13-9/h2-5,11H2,1H3,(H3,10,12,13)
InChIKeyTVXFJRUYGLQZOK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.41
Rot. Bonds

About 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine

4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine (PubChem CID 154271660) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
PubChem CID154271660
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
SMILESCC1(N)N=C(N)NC2=C1CCCC2
InChIInChI=1S/C9H16N4/c1-9(11)6-4-2-3-5-7(6)12-8(10)13-9/h2-5,11H2,1H3,(H3,10,12,13)
InChIKeyTVXFJRUYGLQZOK-UHFFFAOYSA-N
XLogP0.41
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinimine
CID 12265196
(7R)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 21793391
(7S)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 341001
4-N,4-dimethyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
CID 152780327
4-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154098405
4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine
CID 154187063
4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154188420
4-Pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154226338
4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154327448
4-Methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine
CID 154455409
4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine;dihydrochloride
CID 157731865
4-N,4-dimethyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine;dihydrochloride
CID 159951367

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine (CID 154271660) is 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine is CC1(N)N=C(N)NC2=C1CCCC2.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine?
The InChIKey is TVXFJRUYGLQZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(11)6-4-2-3-5-7(6)12-8(10)13-9/h2-5,11H2,1H3,(H3,10,12,13).
What are the key properties of 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine?
4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine is sourced from PubChem (CID 154271660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).