2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine

C19H31N5O — CID 126431696

IUPAC2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
SMILESCc1nc([C@H]2CCOC2)cc(N2CCN(C3CCN(C)CC3)CC2)n1
InChIInChI=1S/C19H31N5O/c1-15-20-18(16-5-12-25-14-16)13-19(21-15)24-10-8-23(9-11-24)17-3-6-22(2)7-4-17/h13,16-17H,3-12,14H2,1-2H3/t16-/m0/s1
InChIKeyYBDJMYIQWQYNST-INIZCTEOSA-N
MW345.49 g/mol
LogP1.51
Rot. Bonds3

About 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine

2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine (PubChem CID 126431696) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
PubChem CID126431696
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine
SMILESCc1nc([C@H]2CCOC2)cc(N2CCN(C3CCN(C)CC3)CC2)n1
InChIInChI=1S/C19H31N5O/c1-15-20-18(16-5-12-25-14-16)13-19(21-15)24-10-8-23(9-11-24)17-3-6-22(2)7-4-17/h13,16-17H,3-12,14H2,1-2H3/t16-/m0/s1
InChIKeyYBDJMYIQWQYNST-INIZCTEOSA-N
XLogP1.51
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine with MolForge

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Related Compounds

(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
1-(2-methyl-6-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72911423
N-ethyl-2-methyl-6-piperidin-4-yl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrimidin-4-amine
CID 56704383
4-{2-Methyl-6-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 56904542
Ethyl 1-[[4-(4-ethoxycarbonylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidine-4-carboxylate
CID 71849242
[(3R*,4R*)-4-[(4-ethylpiperazin-1-yl)methyl]-1-(6-isopropyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 72888560
2-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
CID 76406192
6-(trans-3-aminocyclobutyl)-2-methyl-N-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 91777860
3-(6-{4-[2-(Dimethylamino)ethyl]piperazin-1-yl}-2-methylpyrimidin-4-yl)cyclobutanol
CID 91783406
N,2-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-propan-2-ylpyrimidin-4-amine
CID 95124686
4-[2-methyl-6-[(3S)-1-(2-propoxyethyl)piperidin-3-yl]pyrimidin-4-yl]morpholine
CID 95883013
2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98759876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine (CID 126431696) is 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine is Cc1nc([C@H]2CCOC2)cc(N2CCN(C3CCN(C)CC3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
The InChIKey is YBDJMYIQWQYNST-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-20-18(16-5-12-25-14-16)13-19(21-15)24-10-8-23(9-11-24)17-3-6-22(2)7-4-17/h13,16-17H,3-12,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine?
2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine has a molecular weight of 345.49 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidine is sourced from PubChem (CID 126431696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).