4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

C16H25N5O — CID 99792009

IUPAC4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(C[C@H]3CCC=CO3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-19(2)16-17-7-6-15(18-16)21-10-8-20(9-11-21)13-14-5-3-4-12-22-14/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3/t14-/m1/s1
InChIKeyVDZURSDIICISOB-CQSZACIVSA-N
MW303.41 g/mol
LogP1.36
Rot. Bonds4

About 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 99792009) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID99792009
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(C[C@H]3CCC=CO3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-19(2)16-17-7-6-15(18-16)21-10-8-20(9-11-21)13-14-5-3-4-12-22-14/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3/t14-/m1/s1
InChIKeyVDZURSDIICISOB-CQSZACIVSA-N
XLogP1.36
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 99839483
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 154829661
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 111442513
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
CID 75470946
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166284237
5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 99801754
4-[4-(2-bromoethoxy)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 82701666
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 114800719

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 99792009) is 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(N2CCN(C[C@H]3CCC=CO3)CC2)n1.
What is the InChIKey of 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VDZURSDIICISOB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19(2)16-17-7-6-15(18-16)21-10-8-20(9-11-21)13-14-5-3-4-12-22-14/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 303.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 99792009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).