6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine

C17H21N5 — CID 53320232

IUPAC6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine
SMILESN[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H21N5/c18-15-10-22(9-14(15)12-4-2-1-3-5-12)17-8-16(19-11-20-17)21-13-6-7-13/h1-5,8,11,13-15H,6-7,9-10,18H2,(H,19,20,21)/t14-,15+/m1/s1
InChIKeyXLUFMQGEYVJJTG-CABCVRRESA-N
MW295.39 g/mol
LogP1.98
Rot. Bonds4

About 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine

6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine (PubChem CID 53320232) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine
PubChem CID53320232
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine
SMILESN[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H21N5/c18-15-10-22(9-14(15)12-4-2-1-3-5-12)17-8-16(19-11-20-17)21-13-6-7-13/h1-5,8,11,13-15H,6-7,9-10,18H2,(H,19,20,21)/t14-,15+/m1/s1
InChIKeyXLUFMQGEYVJJTG-CABCVRRESA-N
XLogP1.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
CID 133474028
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
4-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060202
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 129479485
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
CID 115265369
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine (CID 53320232) is 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine is N[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1c1ccccc1.
What is the InChIKey of 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine?
The InChIKey is XLUFMQGEYVJJTG-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N5/c18-15-10-22(9-14(15)12-4-2-1-3-5-12)17-8-16(19-11-20-17)21-13-6-7-13/h1-5,8,11,13-15H,6-7,9-10,18H2,(H,19,20,21)/t14-,15+/m1/s1.
What are the key properties of 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine?
6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 53320232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).