4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine

C15H27N5 — CID 155513612

IUPAC4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine
SMILESCN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1
InChIInChI=1S/C15H27N5/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18)/t12-/m1/s1
InChIKeyQLLZULWFESFQOY-GFCCVEGCSA-N
MW277.42 g/mol
LogP2.07
Rot. Bonds4

About 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine (PubChem CID 155513612) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine
PubChem CID155513612
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine
SMILESCN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1
InChIInChI=1S/C15H27N5/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18)/t12-/m1/s1
InChIKeyQLLZULWFESFQOY-GFCCVEGCSA-N
XLogP2.07
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine (CID 155513612) is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine is CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1.
What is the InChIKey of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine?
The InChIKey is QLLZULWFESFQOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N5/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine?
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 155513612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).