2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine

C19H31N5O — CID 124761065

IUPAC2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-2-15-25-18(4-1)16-22-9-5-17(6-10-22)23-11-13-24(14-12-23)19-20-7-3-8-21-19/h3,7-8,17-18H,1-2,4-6,9-16H2/t18-/m1/s1
InChIKeyVCSDTUCRPVAQQH-GOSISDBHSA-N
MW345.49 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine

2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine (PubChem CID 124761065) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine
PubChem CID124761065
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-2-15-25-18(4-1)16-22-9-5-17(6-10-22)23-11-13-24(14-12-23)19-20-7-3-8-21-19/h3,7-8,17-18H,1-2,4-6,9-16H2/t18-/m1/s1
InChIKeyVCSDTUCRPVAQQH-GOSISDBHSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[Cyclopentyl(pyrimidin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155514722
2-[4-(Oxan-2-ylmethoxy)piperidin-1-YL]pyrimidine
CID 71976806
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
(4aR,7aS)-6-(oxan-4-ylmethyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377537
9-(Cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450991
2-(2-Methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 110118027
4-(5-Methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739020
8-Pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118745855
2-Methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]oxy-1,2,4-triazin-3-one
CID 9799574
4-[2-(4-Pyrimidin-4-ylpiperazin-1-yl)ethyl]morpholine
CID 72867087
2-[4-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]piperazin-1-yl]pyrimidine
CID 96390110

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine (CID 124761065) is 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine is c1cnc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)nc1.
What is the InChIKey of 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine?
The InChIKey is VCSDTUCRPVAQQH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-15-25-18(4-1)16-22-9-5-17(6-10-22)23-11-13-24(14-12-23)19-20-7-3-8-21-19/h3,7-8,17-18H,1-2,4-6,9-16H2/t18-/m1/s1.
What are the key properties of 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine?
2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine has a molecular weight of 345.49 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 124761065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).