1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine

C19H28N4 — CID 145461425

IUPAC1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine
SMILESC=C1CC(C2CCCN(CCc3ccccc3)C2)N=C(N)N1C
InChIInChI=1S/C19H28N4/c1-15-13-18(21-19(20)22(15)2)17-9-6-11-23(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,1,6,9-14H2,2H3,(H2,20,21)
InChIKeyZLWAYWHZDZPKGQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.47
Rot. Bonds4

About 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine

1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine (PubChem CID 145461425) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine
PubChem CID145461425
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine
SMILESC=C1CC(C2CCCN(CCc3ccccc3)C2)N=C(N)N1C
InChIInChI=1S/C19H28N4/c1-15-13-18(21-19(20)22(15)2)17-9-6-11-23(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,1,6,9-14H2,2H3,(H2,20,21)
InChIKeyZLWAYWHZDZPKGQ-UHFFFAOYSA-N
XLogP2.47
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
(4aR,8aS)-1-methylsulfonyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 14781047
carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
CID 159349372
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
(4aS,7aS)-6-(2-phenylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 104870048
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
CID 56883222

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine (CID 145461425) is 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine is C=C1CC(C2CCCN(CCc3ccccc3)C2)N=C(N)N1C.
What is the InChIKey of 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine?
The InChIKey is ZLWAYWHZDZPKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-15-13-18(21-19(20)22(15)2)17-9-6-11-23(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,1,6,9-14H2,2H3,(H2,20,21).
What are the key properties of 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine?
1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine has a molecular weight of 312.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 145461425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).