6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine

C22H26N6O — CID 70681212

IUPAC6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine
SMILESCOc1ccnc(Nc2cc(N3CC[C@@H](N(C)C)C3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1
InChIKeyDKYJSXUQQLLXBR-QGZVFWFLSA-N
MW390.49 g/mol
LogP3.43
Rot. Bonds6

About 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine

6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine (PubChem CID 70681212) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine
PubChem CID70681212
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine
SMILESCOc1ccnc(Nc2cc(N3CC[C@@H](N(C)C)C3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1
InChIKeyDKYJSXUQQLLXBR-QGZVFWFLSA-N
XLogP3.43
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine (CID 70681212) is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine is COc1ccnc(Nc2cc(N3CC[C@@H](N(C)C)C3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine?
The InChIKey is DKYJSXUQQLLXBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1.
What are the key properties of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine?
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridinyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 70681212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).