(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine

C11H17N3 — CID 83861961

IUPAC(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine
SMILESCc1nc(C)c2c(n1)CCCC2CN
InChIInChI=1S/C11H17N3/c1-7-11-9(6-12)4-3-5-10(11)14-8(2)13-7/h9H,3-6,12H2,1-2H3
InChIKeyCNTVLDGUNNBAFL-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.47
Rot. Bonds1

About (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine

(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine (PubChem CID 83861961) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine
PubChem CID83861961
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine
SMILESCc1nc(C)c2c(n1)CCCC2CN
InChIInChI=1S/C11H17N3/c1-7-11-9(6-12)4-3-5-10(11)14-8(2)13-7/h9H,3-6,12H2,1-2H3
InChIKeyCNTVLDGUNNBAFL-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
CID 83861716
[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine
CID 83861692
(4-methyl-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
CID 83870489
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140
2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 22943707
2,5-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 170704256
(2-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718415
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718428
(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine
CID 84720233
(3-chloro-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83869789
5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861742

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine?
The IUPAC name of (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine (CID 83861961) is (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine.
What is the SMILES notation for (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine?
The canonical SMILES for (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine is Cc1nc(C)c2c(n1)CCCC2CN.
What is the InChIKey of (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine?
The InChIKey is CNTVLDGUNNBAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7-11-9(6-12)4-3-5-10(11)14-8(2)13-7/h9H,3-6,12H2,1-2H3.
What are the key properties of (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine?
(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine is sourced from PubChem (CID 83861961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).