4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol

C17H28N4O2 — CID 155983206

IUPAC4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol
SMILESCNc1cc(CC2CCN(CC3(O)CCOCC3)CC2)ncn1
InChIInChI=1S/C17H28N4O2/c1-18-16-11-15(19-13-20-16)10-14-2-6-21(7-3-14)12-17(22)4-8-23-9-5-17/h11,13-14,22H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyJCOZPAMSOXWNOX-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.31
Rot. Bonds5

About 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol

4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 155983206) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol
PubChem CID155983206
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol
SMILESCNc1cc(CC2CCN(CC3(O)CCOCC3)CC2)ncn1
InChIInChI=1S/C17H28N4O2/c1-18-16-11-15(19-13-20-16)10-14-2-6-21(7-3-14)12-17(22)4-8-23-9-5-17/h11,13-14,22H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyJCOZPAMSOXWNOX-UHFFFAOYSA-N
XLogP1.31
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
CID 118739974
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
CID 110090206
6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine
CID 124978384
4-[[(6S)-4-[(4-hydroxyoxan-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-6-one
CID 137166609
4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol
CID 125013514
4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354487
2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 110269085
[(6R)-6-[[6-(methylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-3-ylmethanone
CID 124972965
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol (CID 155983206) is 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol is CNc1cc(CC2CCN(CC3(O)CCOCC3)CC2)ncn1.
What is the InChIKey of 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is JCOZPAMSOXWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-18-16-11-15(19-13-20-16)10-14-2-6-21(7-3-14)12-17(22)4-8-23-9-5-17/h11,13-14,22H,2-10,12H2,1H3,(H,18,19,20).
What are the key properties of 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol?
4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 320.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 155983206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).