4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C19H27N5O2 — CID 139013055

IUPAC4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1cc(CN2CCC(Nc3ccnc(N(C)C)n3)C2)cc(OC)c1
InChIInChI=1S/C19H27N5O2/c1-23(2)19-20-7-5-18(22-19)21-15-6-8-24(13-15)12-14-9-16(25-3)11-17(10-14)26-4/h5,7,9-11,15H,6,8,12-13H2,1-4H3,(H,20,21,22)
InChIKeyFSGZOHYSMVXRCX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.25
Rot. Bonds7

About 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 139013055) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID139013055
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1cc(CN2CCC(Nc3ccnc(N(C)C)n3)C2)cc(OC)c1
InChIInChI=1S/C19H27N5O2/c1-23(2)19-20-7-5-18(22-19)21-15-6-8-24(13-15)12-14-9-16(25-3)11-17(10-14)26-4/h5,7,9-11,15H,6,8,12-13H2,1-4H3,(H,20,21,22)
InChIKeyFSGZOHYSMVXRCX-UHFFFAOYSA-N
XLogP2.25
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901710
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472325
4-N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172902237
4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 126878454
4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901908
4-N-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172905850
2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649042
4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901240
2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
2-N,2-N-dimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172904111
2-N,2-N-dimethyl-4-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172900281

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 139013055) is 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is COc1cc(CN2CCC(Nc3ccnc(N(C)C)n3)C2)cc(OC)c1.
What is the InChIKey of 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is FSGZOHYSMVXRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23(2)19-20-7-5-18(22-19)21-15-6-8-24(13-15)12-14-9-16(25-3)11-17(10-14)26-4/h5,7,9-11,15H,6,8,12-13H2,1-4H3,(H,20,21,22).
What are the key properties of 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 357.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 139013055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).