4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine

C16H22N4OS — CID 95773118

IUPAC4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
SMILESCc1ccnc(NC[C@H](c2cccs2)N2CCO[C@H](C)C2)n1
InChIInChI=1S/C16H22N4OS/c1-12-5-6-17-16(19-12)18-10-14(15-4-3-9-22-15)20-7-8-21-13(2)11-20/h3-6,9,13-14H,7-8,10-11H2,1-2H3,(H,17,18,19)/t13-,14-/m1/s1
InChIKeyPHYHLVFNJZGJMF-ZIAGYGMSSA-N
MW318.45 g/mol
LogP2.72
Rot. Bonds5

About 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine

4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine (PubChem CID 95773118) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
PubChem CID95773118
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
SMILESCc1ccnc(NC[C@H](c2cccs2)N2CCO[C@H](C)C2)n1
InChIInChI=1S/C16H22N4OS/c1-12-5-6-17-16(19-12)18-10-14(15-4-3-9-22-15)20-7-8-21-13(2)11-20/h3-6,9,13-14H,7-8,10-11H2,1-2H3,(H,17,18,19)/t13-,14-/m1/s1
InChIKeyPHYHLVFNJZGJMF-ZIAGYGMSSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 133382668
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 95774005
3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine
CID 133441446
N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86934746
2-(2-methylmorpholin-4-yl)-N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 119155808
4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
CID 98768142
[5-chloro-6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294989
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339
(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 95767303
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine (CID 95773118) is 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine is Cc1ccnc(NC[C@H](c2cccs2)N2CCO[C@H](C)C2)n1.
What is the InChIKey of 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine?
The InChIKey is PHYHLVFNJZGJMF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-5-6-17-16(19-12)18-10-14(15-4-3-9-22-15)20-7-8-21-13(2)11-20/h3-6,9,13-14H,7-8,10-11H2,1-2H3,(H,17,18,19)/t13-,14-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine?
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine has a molecular weight of 318.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 95773118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).