N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine

C16H20N4 — CID 80822558

IUPACN,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C16H20N4/c1-12-10-15(19-16(17-2)18-12)20-9-8-14(11-20)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyYCEYENFRQKWQGI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.82
Rot. Bonds3

About N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine

N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 80822558) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID80822558
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C16H20N4/c1-12-10-15(19-16(17-2)18-12)20-9-8-14(11-20)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyYCEYENFRQKWQGI-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine (CID 80822558) is N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine is CNc1nc(C)cc(N2CCC(c3ccccc3)C2)n1.
What is the InChIKey of N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is YCEYENFRQKWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-10-15(19-16(17-2)18-12)20-9-8-14(11-20)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80822558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).