1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride

C19H21ClN4O2 — CID 154913151

IUPAC1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride
SMILESCOc1cccc(-c2cc(-c3ccco3)nc(N3CCC(N)C3)n2)c1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-24-15-5-2-4-13(10-15)16-11-17(18-6-3-9-25-18)22-19(21-16)23-8-7-14(20)12-23;/h2-6,9-11,14H,7-8,12,20H2,1H3;1H
InChIKeyMBZPHQOUUFSKEO-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.37
Rot. Bonds4

About 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride

1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride (PubChem CID 154913151) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride
PubChem CID154913151
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride
SMILESCOc1cccc(-c2cc(-c3ccco3)nc(N3CCC(N)C3)n2)c1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-24-15-5-2-4-13(10-15)16-11-17(18-6-3-9-25-18)22-19(21-16)23-8-7-14(20)12-23;/h2-6,9-11,14H,7-8,12,20H2,1H3;1H
InChIKeyMBZPHQOUUFSKEO-UHFFFAOYSA-N
XLogP3.37
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperidin-4-amine
CID 118250581
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198
1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
[2-(3-aminopyrrolidin-1-yl)-5-(furan-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 66987812
5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 117211071
1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191849
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride (CID 154913151) is 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride is COc1cccc(-c2cc(-c3ccco3)nc(N3CCC(N)C3)n2)c1.Cl.
What is the InChIKey of 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is MBZPHQOUUFSKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c1-24-15-5-2-4-13(10-15)16-11-17(18-6-3-9-25-18)22-19(21-16)23-8-7-14(20)12-23;/h2-6,9-11,14H,7-8,12,20H2,1H3;1H.
What are the key properties of 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride?
1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 154913151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).