5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine

C21H27N5 — CID 163481953

IUPAC5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCC1(C/N=C2\CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C21H27N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18H,7-11,14-15H2,1H3,(H2,22,23,24)/b25-19+
InChIKeyCFHVWQDHSZYBAJ-NCELDCMTSA-N
MW349.48 g/mol
LogP3.29
Rot. Bonds5

About 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine

5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 163481953) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID163481953
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCC1(C/N=C2\CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C21H27N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18H,7-11,14-15H2,1H3,(H2,22,23,24)/b25-19+
InChIKeyCFHVWQDHSZYBAJ-NCELDCMTSA-N
XLogP3.29
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 118290921
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428
(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97282637
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
5-[[4-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)azepan-1-yl]methyl]pyrimidin-2-amine
CID 138381746
(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
CID 143853919
1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 56753797
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-hydroxy-4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 21306829
tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
CID 122657592

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine (CID 163481953) is 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine is CC1(C/N=C2\CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is CFHVWQDHSZYBAJ-NCELDCMTSA-N. The full InChI is InChI=1S/C21H27N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18H,7-11,14-15H2,1H3,(H2,22,23,24)/b25-19+.
What are the key properties of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 349.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 163481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).