(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C20H28N4O — CID 99929013

IUPAC(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCOc1ccc(CN(C)[C@H](C)c2ccncn2)cc1CN1CCCC1
InChIInChI=1S/C20H28N4O/c1-16(19-8-9-21-15-22-19)23(2)13-17-6-7-20(25-3)18(12-17)14-24-10-4-5-11-24/h6-9,12,15-16H,4-5,10-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyINRDHTNWUISHHD-MRXNPFEDSA-N
MW340.47 g/mol
LogP3.27
Rot. Bonds7

About (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 99929013) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID99929013
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCOc1ccc(CN(C)[C@H](C)c2ccncn2)cc1CN1CCCC1
InChIInChI=1S/C20H28N4O/c1-16(19-8-9-21-15-22-19)23(2)13-17-6-7-20(25-3)18(12-17)14-24-10-4-5-11-24/h6-9,12,15-16H,4-5,10-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyINRDHTNWUISHHD-MRXNPFEDSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99928863
N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77081354
(1R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99930753
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
N-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91769308
1-(azocan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45204586
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
(2S)-2-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]propanamide
CID 39794294
(3R,8aS)-2-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603783
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 99929013) is (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is COc1ccc(CN(C)[C@H](C)c2ccncn2)cc1CN1CCCC1.
What is the InChIKey of (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is INRDHTNWUISHHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(19-8-9-21-15-22-19)23(2)13-17-6-7-20(25-3)18(12-17)14-24-10-4-5-11-24/h6-9,12,15-16H,4-5,10-11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 340.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 99929013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).