N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine

C16H20N4 — CID 80822469

IUPACN-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(c3ccccc3)C2)ncn1
InChIInChI=1S/C16H20N4/c1-2-17-15-10-16(19-12-18-15)20-9-8-14(11-20)13-6-4-3-5-7-13/h3-7,10,12,14H,2,8-9,11H2,1H3,(H,17,18,19)
InChIKeyZHQRBTGJVCQIOP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.90
Rot. Bonds4

About N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine

N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80822469) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80822469
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(c3ccccc3)C2)ncn1
InChIInChI=1S/C16H20N4/c1-2-17-15-10-16(19-12-18-15)20-9-8-14(11-20)13-6-4-3-5-7-13/h3-7,10,12,14H,2,8-9,11H2,1H3,(H,17,18,19)
InChIKeyZHQRBTGJVCQIOP-UHFFFAOYSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80822469) is N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCC(c3ccccc3)C2)ncn1.
What is the InChIKey of N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is ZHQRBTGJVCQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-17-15-10-16(19-12-18-15)20-9-8-14(11-20)13-6-4-3-5-7-13/h3-7,10,12,14H,2,8-9,11H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine?
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80822469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).