5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine

C15H18N4O — CID 95814820

IUPAC5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2[C@H]2CCCN2)c1
InChIInChI=1S/C15H18N4O/c1-20-11-5-2-4-10(8-11)12-9-18-15(16)19-14(12)13-6-3-7-17-13/h2,4-5,8-9,13,17H,3,6-7H2,1H3,(H2,16,18,19)/t13-/m1/s1
InChIKeyINCSHUOKEXLURO-CYBMUJFWSA-N
MW270.34 g/mol
LogP2.16
Rot. Bonds3

About 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine

5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 95814820) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID95814820
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2[C@H]2CCCN2)c1
InChIInChI=1S/C15H18N4O/c1-20-11-5-2-4-10(8-11)12-9-18-15(16)19-14(12)13-6-3-7-17-13/h2,4-5,8-9,13,17H,3,6-7H2,1H3,(H2,16,18,19)/t13-/m1/s1
InChIKeyINCSHUOKEXLURO-CYBMUJFWSA-N
XLogP2.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872
4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
CID 142779544
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 68632642
5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride
CID 171688129
5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 95837063
[(2R)-2-[2-amino-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 124958973
5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 117211071
5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
CID 90058268
[(2R)-2-[2-amino-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 125024530
2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine
CID 118759426

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine (CID 95814820) is 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2[C@H]2CCCN2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is INCSHUOKEXLURO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-11-5-2-4-10(8-11)12-9-18-15(16)19-14(12)13-6-3-7-17-13/h2,4-5,8-9,13,17H,3,6-7H2,1H3,(H2,16,18,19)/t13-/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95814820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).