formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine

C16H26N4O4 — CID 154915734

IUPACformic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCO[C@H]1COCC[C@@H]1Nc1cc(N2CCCCC2)ncn1.O=CO
InChIInChI=1S/C15H24N4O2.CH2O2/c1-20-13-10-21-8-5-12(13)18-14-9-15(17-11-16-14)19-6-3-2-4-7-19;2-1-3/h9,11-13H,2-8,10H2,1H3,(H,16,17,18);1H,(H,2,3)/t12-,13-;/m0./s1
InChIKeyNJKJJHLWYPMEMQ-QNTKWALQSA-N
MW338.41 g/mol
LogP1.38
Rot. Bonds4

About formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine

formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 154915734) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Nameformic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID154915734
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nameformic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCO[C@H]1COCC[C@@H]1Nc1cc(N2CCCCC2)ncn1.O=CO
InChIInChI=1S/C15H24N4O2.CH2O2/c1-20-13-10-21-8-5-12(13)18-14-9-15(17-11-16-14)19-6-3-2-4-7-19;2-1-3/h9,11-13H,2-8,10H2,1H3,(H,16,17,18);1H,(H,2,3)/t12-,13-;/m0./s1
InChIKeyNJKJJHLWYPMEMQ-QNTKWALQSA-N
XLogP1.38
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine with MolForge

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Related Compounds

4-(4-Methylpiperazin-1-yl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 76434787
1-[4-[6-(Cyclopropylamino)pyrimidin-4-yl]morpholin-2-yl]ethanol
CID 128733275
6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine
CID 128997014
1-[6-[[1-(2-Methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 138033421
[1-[6-(1,4-Dioxan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 71878675
6-(4-morpholin-4-ylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 117080352
2-[[6-(4-Morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
CID 117094634
4-[[6-(2-Morpholin-4-ylethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 117094666
Tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 177305919
(3R*,4R*)-1-[6-(isopropylamino)-4-pyrimidinyl]-4-(4-methyl-1-piperazinyl)-3-piperidinol
CID 56867760
[1-[6-[2-(2,6-Dimethylmorpholin-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144640
[1-[6-[3-(2,6-Dimethylmorpholin-4-yl)propylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144643

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine (CID 154915734) is formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine is CO[C@H]1COCC[C@@H]1Nc1cc(N2CCCCC2)ncn1.O=CO.
What is the InChIKey of formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is NJKJJHLWYPMEMQ-QNTKWALQSA-N. The full InChI is InChI=1S/C15H24N4O2.CH2O2/c1-20-13-10-21-8-5-12(13)18-14-9-15(17-11-16-14)19-6-3-2-4-7-19;2-1-3/h9,11-13H,2-8,10H2,1H3,(H,16,17,18);1H,(H,2,3)/t12-,13-;/m0./s1.
What are the key properties of formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine?
formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 154915734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).