3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol

C18H32N6O3S — CID 126888700

IUPAC3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
SMILESCN(C)c1cc(NC2CCN(CC3(O)CCCN(S(C)(=O)=O)C3)CC2)ncn1
InChIInChI=1S/C18H32N6O3S/c1-22(2)17-11-16(19-14-20-17)21-15-5-9-23(10-6-15)12-18(25)7-4-8-24(13-18)28(3,26)27/h11,14-15,25H,4-10,12-13H2,1-3H3,(H,19,20,21)
InChIKeyJRZHXKWUVUPZSQ-UHFFFAOYSA-N
MW412.56 g/mol
LogP0.21
Rot. Bonds6

About 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol

3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol (PubChem CID 126888700) has the molecular formula C18H32N6O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
PubChem CID126888700
Molecular FormulaC18H32N6O3S
Molecular Weight412.56 g/mol
Exact Mass412.23
IUPAC Name3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
SMILESCN(C)c1cc(NC2CCN(CC3(O)CCCN(S(C)(=O)=O)C3)CC2)ncn1
InChIInChI=1S/C18H32N6O3S/c1-22(2)17-11-16(19-14-20-17)21-15-5-9-23(10-6-15)12-18(25)7-4-8-24(13-18)28(3,26)27/h11,14-15,25H,4-10,12-13H2,1-3H3,(H,19,20,21)
InChIKeyJRZHXKWUVUPZSQ-UHFFFAOYSA-N
XLogP0.21
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol with MolForge

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Related Compounds

1-methylsulfonyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 126889883
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
3-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126912235
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 126891669
6-N-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126887439
3-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylsulfonylpyrrolidin-3-ol
CID 126912240
4-N,4-N-dimethyl-6-N-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888630
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888478
4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888535
4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888582

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol (CID 126888700) is 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol is CN(C)c1cc(NC2CCN(CC3(O)CCCN(S(C)(=O)=O)C3)CC2)ncn1.
What is the InChIKey of 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol?
The InChIKey is JRZHXKWUVUPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O3S/c1-22(2)17-11-16(19-14-20-17)21-15-5-9-23(10-6-15)12-18(25)7-4-8-24(13-18)28(3,26)27/h11,14-15,25H,4-10,12-13H2,1-3H3,(H,19,20,21).
What are the key properties of 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol?
3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol has a molecular weight of 412.56 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 126888700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).