(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine

C19H33N5O — CID 99837346

IUPAC(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine
SMILESCc1cc(C(C)C)nc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n1
InChIInChI=1S/C19H33N5O/c1-15(2)18-13-16(3)20-19(21-18)24-9-7-22(8-10-24)5-6-23-11-12-25-17(4)14-23/h13,15,17H,5-12,14H2,1-4H3/t17-/m0/s1
InChIKeyBVMIZPNIWAPUAB-KRWDZBQOSA-N
MW347.51 g/mol
LogP1.75
Rot. Bonds5

About (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine

(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine (PubChem CID 99837346) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine
PubChem CID99837346
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine
SMILESCc1cc(C(C)C)nc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n1
InChIInChI=1S/C19H33N5O/c1-15(2)18-13-16(3)20-19(21-18)24-9-7-22(8-10-24)5-6-23-11-12-25-17(4)14-23/h13,15,17H,5-12,14H2,1-4H3/t17-/m0/s1
InChIKeyBVMIZPNIWAPUAB-KRWDZBQOSA-N
XLogP1.75
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
CID 99827479
2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine
CID 82166117
(3S,4S)-4-methyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 114085569
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 113491546
1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 55204902
6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107543287
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
CID 80663756
[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 146127363
5-methyl-1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
CID 118280739
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416104
[6-methyl-2-[(2-methylmorpholin-4-yl)methyl]pyrimidin-4-yl]hydrazine
CID 80656206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine (CID 99837346) is (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine is Cc1cc(C(C)C)nc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n1.
What is the InChIKey of (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine?
The InChIKey is BVMIZPNIWAPUAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15(2)18-13-16(3)20-19(21-18)24-9-7-22(8-10-24)5-6-23-11-12-25-17(4)14-23/h13,15,17H,5-12,14H2,1-4H3/t17-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine?
(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine has a molecular weight of 347.51 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 99837346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).