1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine

C20H28N4 — CID 77090196

IUPAC1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESCCc1nccc(CN(C)Cc2ccccc2CN2CCCC2)n1
InChIInChI=1S/C20H28N4/c1-3-20-21-11-10-19(22-20)16-23(2)14-17-8-4-5-9-18(17)15-24-12-6-7-13-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3
InChIKeyDAPVRYWSGLSULR-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.27
Rot. Bonds7

About 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine

1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine (PubChem CID 77090196) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
PubChem CID77090196
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESCCc1nccc(CN(C)Cc2ccccc2CN2CCCC2)n1
InChIInChI=1S/C20H28N4/c1-3-20-21-11-10-19(22-20)16-23(2)14-17-8-4-5-9-18(17)15-24-12-6-7-13-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3
InChIKeyDAPVRYWSGLSULR-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131908366
2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
CID 91779694
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 99956270
6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 56719856
2-ethyl-4-[[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyrimidine
CID 72882624
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 56908611
(2S,6R)-4-[(2-ethylpyrimidin-4-yl)methyl]-4-azatricyclo[5.2.2.02,6]undecane
CID 56876552
8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline
CID 177291811
N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 59646674
N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77078750
1-[4-methyl-2-[methyl-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone
CID 135113871
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine (CID 77090196) is 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine is CCc1nccc(CN(C)Cc2ccccc2CN2CCCC2)n1.
What is the InChIKey of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is DAPVRYWSGLSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-3-20-21-11-10-19(22-20)16-23(2)14-17-8-4-5-9-18(17)15-24-12-6-7-13-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3.
What are the key properties of 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine has a molecular weight of 324.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 77090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).