7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine

C16H21N5 — CID 71603195

IUPAC7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1
InChIInChI=1S/C16H21N5/c1-18-12-6-7-21(9-12)15-13-5-4-11(10-2-3-10)8-14(13)19-16(17)20-15/h4-5,8,10,12,18H,2-3,6-7,9H2,1H3,(H2,17,19,20)/t12-/m1/s1
InChIKeyPLSSBUTVCXDGTH-GFCCVEGCSA-N
MW283.38 g/mol
LogP1.89
Rot. Bonds3

About 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine

7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine (PubChem CID 71603195) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine.

Molecular Properties

Compound Name7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine
PubChem CID71603195
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1
InChIInChI=1S/C16H21N5/c1-18-12-6-7-21(9-12)15-13-5-4-11(10-2-3-10)8-14(13)19-16(17)20-15/h4-5,8,10,12,18H,2-3,6-7,9H2,1H3,(H2,17,19,20)/t12-/m1/s1
InChIKeyPLSSBUTVCXDGTH-GFCCVEGCSA-N
XLogP1.89
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine?
The IUPAC name of 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine (CID 71603195) is 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine.
What is the SMILES notation for 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine?
The canonical SMILES for 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1.
What is the InChIKey of 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine?
The InChIKey is PLSSBUTVCXDGTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5/c1-18-12-6-7-21(9-12)15-13-5-4-11(10-2-3-10)8-14(13)19-16(17)20-15/h4-5,8,10,12,18H,2-3,6-7,9H2,1H3,(H2,17,19,20)/t12-/m1/s1.
What are the key properties of 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine?
7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-amine is sourced from PubChem (CID 71603195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).