5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine

C11H17N5 — CID 21336462

IUPAC5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
SMILESCNCC1=C(C)C2C(N)=NC(N)=NC2C=C1
InChIInChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,8-9,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyMJMWQSGFEMQXQP-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.24
Rot. Bonds2

About 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine

5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine (PubChem CID 21336462) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
PubChem CID21336462
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
SMILESCNCC1=C(C)C2C(N)=NC(N)=NC2C=C1
InChIInChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,8-9,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyMJMWQSGFEMQXQP-UHFFFAOYSA-N
XLogP-0.24
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-(7-chloro-4a,8a-dihydro-4-quinazolinyl)-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 135498315
Tetrahydro-1h-pyrrolo[3,4-c]quinoline-1,3(2h)-diimine
CID 132278747
4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione
CID 89468371
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
5-Methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine
CID 91375004
(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
CID 91805248
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
(Z)-N'-[4-(3,4-dihydropyridin-3-yl)cyclohexa-2,4-dien-1-yl]-2-ethyl-3-(methylamino)pent-2-enimidamide
CID 139398825
4-Methyl-4a,8a-dihydroquinolin-2-amine
CID 141770261
3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine
CID 143397821
Methane;5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 160132574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine?
The IUPAC name of 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine (CID 21336462) is 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine is CNCC1=C(C)C2C(N)=NC(N)=NC2C=C1.
What is the InChIKey of 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine?
The InChIKey is MJMWQSGFEMQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,8-9,14H,5H2,1-2H3,(H4,12,13,15,16).
What are the key properties of 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine?
5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine has a molecular weight of 219.29 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 21336462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).