(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid

C14H21N5O2 — CID 133115900

IUPAC(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESCN(C)c1nc(N)cc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1
InChIInChI=1S/C14H21N5O2/c1-18(2)14-16-11(15)5-12(17-14)19-6-9(8-3-4-8)10(7-19)13(20)21/h5,8-10H,3-4,6-7H2,1-2H3,(H,20,21)(H2,15,16,17)/t9-,10+/m1/s1
InChIKeyPTFNEEHQFBVHEQ-ZJUUUORDSA-N
MW291.36 g/mol
LogP0.67
Rot. Bonds4

About (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 133115900) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID133115900
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESCN(C)c1nc(N)cc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1
InChIInChI=1S/C14H21N5O2/c1-18(2)14-16-11(15)5-12(17-14)19-6-9(8-3-4-8)10(7-19)13(20)21/h5,8-10H,3-4,6-7H2,1-2H3,(H,20,21)(H2,15,16,17)/t9-,10+/m1/s1
InChIKeyPTFNEEHQFBVHEQ-ZJUUUORDSA-N
XLogP0.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 133115900) is (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid is CN(C)c1nc(N)cc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1.
What is the InChIKey of (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is PTFNEEHQFBVHEQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-18(2)14-16-11(15)5-12(17-14)19-6-9(8-3-4-8)10(7-19)13(20)21/h5,8-10H,3-4,6-7H2,1-2H3,(H,20,21)(H2,15,16,17)/t9-,10+/m1/s1.
What are the key properties of (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 291.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133115900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).