4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C13H21N5 — CID 24992735

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1
InChIInChI=1S/C13H21N5/c1-15-9-6-7-18(8-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h9,15H,2-8H2,1H3,(H2,14,16,17)/t9-/m1/s1
InChIKeyZWSSEDGUWNMSRJ-SECBINFHSA-N
MW247.35 g/mol
LogP0.74
Rot. Bonds2

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 24992735) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID24992735
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1
InChIInChI=1S/C13H21N5/c1-15-9-6-7-18(8-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h9,15H,2-8H2,1H3,(H2,14,16,17)/t9-/m1/s1
InChIKeyZWSSEDGUWNMSRJ-SECBINFHSA-N
XLogP0.74
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 24992735) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is ZWSSEDGUWNMSRJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N5/c1-15-9-6-7-18(8-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h9,15H,2-8H2,1H3,(H2,14,16,17)/t9-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 24992735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).