6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine

C15H27N5 — CID 57403351

IUPAC6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine
SMILESCN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1
InChIInChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1
InChIKeyZLULVVLDDHMAFR-GFCCVEGCSA-N
MW277.42 g/mol
LogP2.07
Rot. Bonds4

About 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine

6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine (PubChem CID 57403351) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine
PubChem CID57403351
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine
SMILESCN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1
InChIInChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1
InChIKeyZLULVVLDDHMAFR-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 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine (CID 57403351) is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine is CN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1.
What is the InChIKey of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine?
The InChIKey is ZLULVVLDDHMAFR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine?
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-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 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 57403351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).