N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine

C19H24N4 — CID 141133441

IUPACN-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1cnc(N[C@@H]2CCN(CCc3ccccc3)C2)nc1
InChIInChI=1S/C19H24N4/c1-2-6-17-13-20-19(21-14-17)22-18-10-12-23(15-18)11-9-16-7-4-3-5-8-16/h2-5,7-8,13-14,18H,1,6,9-12,15H2,(H,20,21,22)/t18-/m1/s1
InChIKeyQVJWEWVOBKTCNP-GOSISDBHSA-N
MW308.43 g/mol
LogP2.93
Rot. Bonds7

About N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine

N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine (PubChem CID 141133441) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
PubChem CID141133441
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1cnc(N[C@@H]2CCN(CCc3ccccc3)C2)nc1
InChIInChI=1S/C19H24N4/c1-2-6-17-13-20-19(21-14-17)22-18-10-12-23(15-18)11-9-16-7-4-3-5-8-16/h2-5,7-8,13-14,18H,1,6,9-12,15H2,(H,20,21,22)/t18-/m1/s1
InChIKeyQVJWEWVOBKTCNP-GOSISDBHSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
CID 131936847
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231
N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine
CID 141181166
5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
CID 137342628
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine
CID 115677511

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine?
The IUPAC name of N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine (CID 141133441) is N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine is C=CCc1cnc(N[C@@H]2CCN(CCc3ccccc3)C2)nc1.
What is the InChIKey of N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine?
The InChIKey is QVJWEWVOBKTCNP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-6-17-13-20-19(21-14-17)22-18-10-12-23(15-18)11-9-16-7-4-3-5-8-16/h2-5,7-8,13-14,18H,1,6,9-12,15H2,(H,20,21,22)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine?
N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine has a molecular weight of 308.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 141133441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).