(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide

C19H28N6O3 — CID 10643994

IUPAC(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide
SMILESCOc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC
InChIInChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m1/s1
InChIKeyFACJCZHMOYUSSW-CYBMUJFWSA-N
MW388.47 g/mol
LogP0.92
Rot. Bonds4

About (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide

(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide (PubChem CID 10643994) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide
PubChem CID10643994
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide
SMILESCOc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC
InChIInChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m1/s1
InChIKeyFACJCZHMOYUSSW-CYBMUJFWSA-N
XLogP0.92
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide (CID 10643994) is (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide is COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC.
What is the InChIKey of (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide?
The InChIKey is FACJCZHMOYUSSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m1/s1.
What are the key properties of (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide?
(2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide is sourced from PubChem (CID 10643994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).