4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

C21H29N5 — CID 70961398

IUPAC4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESC[C@@H]1C[C@@H](N)CN1c1nc(N(C)C)nc2c1CCCC2c1ccccc1
InChIInChI=1S/C21H29N5/c1-14-12-16(22)13-26(14)20-18-11-7-10-17(15-8-5-4-6-9-15)19(18)23-21(24-20)25(2)3/h4-6,8-9,14,16-17H,7,10-13,22H2,1-3H3/t14-,16-,17?/m1/s1
InChIKeyTZXPYWAIGKAHCQ-IYNBXCLQSA-N
MW351.50 g/mol
LogP2.94
Rot. Bonds3

About 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 70961398) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID70961398
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESC[C@@H]1C[C@@H](N)CN1c1nc(N(C)C)nc2c1CCCC2c1ccccc1
InChIInChI=1S/C21H29N5/c1-14-12-16(22)13-26(14)20-18-11-7-10-17(15-8-5-4-6-9-15)19(18)23-21(24-20)25(2)3/h4-6,8-9,14,16-17H,7,10-13,22H2,1-3H3/t14-,16-,17?/m1/s1
InChIKeyTZXPYWAIGKAHCQ-IYNBXCLQSA-N
XLogP2.94
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 70961398) is 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is C[C@@H]1C[C@@H](N)CN1c1nc(N(C)C)nc2c1CCCC2c1ccccc1.
What is the InChIKey of 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is TZXPYWAIGKAHCQ-IYNBXCLQSA-N. The full InChI is InChI=1S/C21H29N5/c1-14-12-16(22)13-26(14)20-18-11-7-10-17(15-8-5-4-6-9-15)19(18)23-21(24-20)25(2)3/h4-6,8-9,14,16-17H,7,10-13,22H2,1-3H3/t14-,16-,17?/m1/s1.
What are the key properties of 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 351.50 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 70961398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).