N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

C18H24N4O2 — CID 172891872

IUPACN-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCOc1cccc(CN2CCC(Nc3cc(C)ncn3)C2)c1OC
InChIInChI=1S/C18H24N4O2/c1-13-9-17(20-12-19-13)21-15-7-8-22(11-15)10-14-5-4-6-16(23-2)18(14)24-3/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,19,20,21)
InChIKeyAOCUZXAXZUZKTF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.49
Rot. Bonds6

About N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 172891872) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID172891872
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCOc1cccc(CN2CCC(Nc3cc(C)ncn3)C2)c1OC
InChIInChI=1S/C18H24N4O2/c1-13-9-17(20-12-19-13)21-15-7-8-22(11-15)10-14-5-4-6-16(23-2)18(14)24-3/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,19,20,21)
InChIKeyAOCUZXAXZUZKTF-UHFFFAOYSA-N
XLogP2.49
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (CID 172891872) is N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is COc1cccc(CN2CCC(Nc3cc(C)ncn3)C2)c1OC.
What is the InChIKey of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is AOCUZXAXZUZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-9-17(20-12-19-13)21-15-7-8-22(11-15)10-14-5-4-6-16(23-2)18(14)24-3/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 172891872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).