(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

C19H29N5 — CID 42519495

IUPAC(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCc1[nH]cnc1CN[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C19H29N5/c1-12-16(23-11-22-12)10-20-14-7-19(5,6)8-15-13(14)9-21-17(24-15)18(2,3)4/h9,11,14,20H,7-8,10H2,1-6H3,(H,22,23)/t14-/m0/s1
InChIKeyMGJNRBQPBWSLPH-AWEZNQCLSA-N
MW327.48 g/mol
LogP3.61
Rot. Bonds3

About (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 42519495) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID42519495
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCc1[nH]cnc1CN[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C19H29N5/c1-12-16(23-11-22-12)10-20-14-7-19(5,6)8-15-13(14)9-21-17(24-15)18(2,3)4/h9,11,14,20H,7-8,10H2,1-6H3,(H,22,23)/t14-/m0/s1
InChIKeyMGJNRBQPBWSLPH-AWEZNQCLSA-N
XLogP3.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (CID 42519495) is (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is Cc1[nH]cnc1CN[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21.
What is the InChIKey of (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is MGJNRBQPBWSLPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N5/c1-12-16(23-11-22-12)10-20-14-7-19(5,6)8-15-13(14)9-21-17(24-15)18(2,3)4/h9,11,14,20H,7-8,10H2,1-6H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 327.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 42519495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).